SCHEMBL15768410

SCHEMBL15768410

Cc1ccccc1N(c1ccc(Br)cc1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP2A6 P11509 4/20 0.44
SIGMAR1 Q99720 7/20 0.40
CYP1A2 P05177 4/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4895723 0.90 CYP2A6 (0.50) ALDH1A1CYP2A6SIGMAR1CYP1A2HPGD
SCHEMBL30636158 0.90 SIGMAR1 (0.43) ALDH1A1CYP2A6SIGMAR1CYP1A2HPGD
SCHEMBL5956974 0.90 SIGMAR1 (0.43) ALDH1A1CYP2A6SIGMAR1CYP1A2HPGD
SCHEMBL4891192 0.89 CYP2A6 (0.48) ALDH1A1CYP2A6SIGMAR1CYP1A2HPGD
SCHEMBL17933025 0.87 CYP2A6 (0.50) ALDH1A1CYP2A6SIGMAR1CYP1A2HPGD
SCHEMBL1456296 0.87 SIGMAR1 (0.43) ALDH1A1CYP2A6SIGMAR1CYP1A2HPGD
SCHEMBL3366743 0.87 ALDH1A1 (0.39) ALDH1A1CYP2A6SIGMAR1MAOAMAOB
SCHEMBL4894348 0.86 ALDH1A1 (0.46) ALDH1A1CYP2A6SIGMAR1CYP1A2HPGD
SCHEMBL12215533 0.86 ALDH1A1 (0.42) ALDH1A1CYP2A6SIGMAR1CYP1A2KMT2A
SCHEMBL18069064 0.86 CYP2A6 (0.46) ALDH1A1CYP2A6SIGMAR1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9263681-B2 Organic light emitting host materials NITTO DENKO CORPORATION (JP) 2016-02-16 US disclosed
US-9263681-B2 Organic light emitting host materials NITTO DENKO CORPORATION (JP) 2016-02-16 US disclosed
US-9263681-B2 Organic light emitting host materials NITTO DENKO CORPORATION (JP) 2016-02-16 US disclosed
WO-2014093353-A1 ORGANIC LIGHT EMITTING POLYAROMATIC AND POLYHETEROAROMATIC HOST MATERIALS NITTO DENKO CORPORATION (JP) 2014-06-19 WO disclosed
WO-2014093353-A1 ORGANIC LIGHT EMITTING POLYAROMATIC AND POLYHETEROAROMATIC HOST MATERIALS NITTO DENKO CORPORATION (JP) 2014-06-19 WO disclosed
US-20140159015-A1 ORGANIC LIGHT EMITTING HOST MATERIALS NITTO DENKO CORPORATION (JP) 2014-06-12 US disclosed
US-20140159015-A1 ORGANIC LIGHT EMITTING HOST MATERIALS NITTO DENKO CORPORATION (JP) 2014-06-12 US disclosed
US-20140159015-A1 ORGANIC LIGHT EMITTING HOST MATERIALS NITTO DENKO CORPORATION (JP) 2014-06-12 US disclosed