SCHEMBL14416396

SCHEMBL14416396

c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8ccccc8c7)ccc65)cc4)cc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
NTSR1 P30989 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39

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
SCHEMBL15197810 0.98 CYP1A1 (0.46) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL6375222 0.96 CYP1A1 (0.47) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL14416394 0.96 CYP1A1 (0.48) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL14416397 0.96 CYP1A1 (0.48) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL17899180 0.96 CYP1A1 (0.48) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL17899167 0.96 CYP1A1 (0.48) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL6373496 0.95 CYP1A1 (0.45) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL6375123 0.95 CYP1A1 (0.42) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL15887907 0.94 CYP1A1 (0.42) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL15887970 0.94 CYP1A1 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9523031-B2 Organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-20 US disclosed
US-9523031-B2 Organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-20 US disclosed
US-20070224448-A1 Organic Electroluminescent Device IDEMITSU KOSAN CO., LTD. (JP) 2007-09-27 US disclosed
US-20070224448-A1 Organic Electroluminescent Device IDEMITSU KOSAN CO., LTD. (JP) 2007-09-27 US disclosed