SCHEMBL14951015

SCHEMBL14951015

c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)sc4ccc5ccccc5c46)cc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.36
▸ HPGD P15428 7/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.34
▸ PTGES O14684 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL14951020 1.00 MAPT (0.36) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL14951019 0.93 ATM (0.36) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL17990953 0.92 CYP1A1 (0.36) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL14951220 0.92 HPGD (0.36) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL14951222 0.92 HPGD (0.36) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL10014652 0.91 KMT2A (0.38) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL10014656 0.91 KMT2A (0.38) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL17990950 0.91 KMT2A (0.36) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL14951399 0.90 KMT2A (0.35) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL14951433 0.90 KMT2A (0.35) MAPTHPGDKMT2AALDH1A1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013069939-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT INCLUDING THE SAME, ELECTRONIC DEVICE THEREOF 덕산하이메탈(주) (KR) 2013-05-16 — — WO disclosed
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