SCHEMBL16906002

SCHEMBL16906002

Ic1cccc2c1c1ccc3ccccc3c1n2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPRT1 P00492 1/20 0.33
▸ CNR1 P21554 4/20 0.33
▸ CNR2 P34972 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HKDC1 Q2TB90 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CYP2A6 P11509 1/20 0.31

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
SCHEMBL12969634 0.83 L3MBTL1 (0.42) KDM4EATML3MBTL1HPRT1ALDH1A1
SCHEMBL17877962 0.82 KDM4E (0.41) KDM4EATML3MBTL1HPRT1CNR1
SCHEMBL24032485 0.82 CYP2A6 (0.42) KDM4EATML3MBTL1HPRT1CNR1
SCHEMBL17989777 0.82 L3MBTL1 (0.52) KDM4EATML3MBTL1HPRT1ALDH1A1
SCHEMBL23659682 0.81 L3MBTL1 (0.40) KDM4EATML3MBTL1ALDH1A1TDP1
SCHEMBL17989775 0.81 L3MBTL1 (0.50) KDM4EATML3MBTL1HPRT1ALDH1A1
SCHEMBL21109304 0.80 KDM4E (0.48) KDM4EATML3MBTL1HPRT1ALDH1A1
SCHEMBL19573644 0.80 L3MBTL1 (0.44) KDM4EATML3MBTL1HPRT1ALDH1A1
SCHEMBL18518877 0.79 L3MBTL1 (0.61) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL10061173 0.79 L3MBTL1 (0.61) KDM4EATML3MBTL1HPRT1ALDH1A1

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-2015105315-A1 FUSED-RING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 삼성에스디아이 주식회사 2015-07-16 — — WO disclosed
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