Sugi Predict

Sugi Predict / Compounds / SCHEMBL13100558

SCHEMBL13100558

SCHEMBL13100558

c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.51
▸ CYP1B1 Q16678 1/20 0.51
▸ MEN1 O00255 7/20 0.44
▸ KMT2A Q03164 7/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ MAPT P10636 5/20 0.44
▸ HPGD P15428 5/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44
▸ TUBB4B P68371 1/20 0.44
▸ TUBB3 Q13509 1/20 0.44
▸ TUBB2A Q13885 1/20 0.44
▸ TUBB8 Q3ZCM7 1/20 0.44
▸ TUBA3E Q6PEY2 1/20 0.44
▸ TUBA1A Q71U36 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14416334 1.00 CYP1A1 (0.51) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL13100570 1.00 CYP1A1 (0.51) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL12211014 0.99 CYP1A1 (0.52) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL17899164 0.99 CYP1A1 (0.52) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL17899180 0.97 CYP1A1 (0.48) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL17899167 0.97 CYP1A1 (0.48) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL13100578 0.96 CYP1A1 (0.46) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL19397648 0.96 CYP1A1 (0.49) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL13227381 0.96 CYP1A2 (0.46) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL13100589 0.95 KMT2A (0.46) CYP1A1CYP1B1MEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — US disclosed
US-9082995-B2 Organic EL element and organic EL material-containing solution IDEMITSU KOSAN CO., LTD. (JP) 2015-07-14 — — US disclosed
US-9082995-B2 Organic EL element and organic EL material-containing solution IDEMITSU KOSAN CO., LTD. (JP) 2015-07-14 — — US disclosed
US-20130187143-A1 ORGANIC EL DEVICE AND ANTHRACENE DERIVATIVE NISHIMURA KAZUKI (JP) 2013-07-25 — — US disclosed
US-20130187143-A1 ORGANIC EL DEVICE AND ANTHRACENE DERIVATIVE NISHIMURA KAZUKI (JP) 2013-07-25 — — US disclosed
US-8426036-B2 Organic EL device and anthracene derivative IDEMITSU KOSAN CO., LTD. (JP) 2013-04-23 — — US disclosed
US-8426036-B2 Organic EL device and anthracene derivative IDEMITSU KOSAN CO., LTD. (JP) 2013-04-23 — — US disclosed
US-8294142-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2012-10-23 — — US disclosed
US-8294142-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2012-10-23 — — US disclosed
US-20100270539-A1 ORGANIC EL ELEMENT AND ORGANIC EL MATERIAL-CONTAINING SOLUTION IDEMITSU KOSAN CO., LTD. (JP) 2010-10-28 — — US disclosed
US-20100270539-A1 ORGANIC EL ELEMENT AND ORGANIC EL MATERIAL-CONTAINING SOLUTION IDEMITSU KOSAN CO., LTD. (JP) 2010-10-28 — — US disclosed
US-20100207110-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO. LTD (JP) 2010-08-19 — — US disclosed
US-20100207110-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO. LTD (JP) 2010-08-19 — — US disclosed
US-20100187517-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 — — US disclosed
US-20100187517-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 — — US disclosed