SCHEMBL10811745

SCHEMBL10811745

CN(C)Cc1ccc(Nc2ccc(Nc3ccc(CN(C)C)cc3)c3c2C(=O)c2cccc(N)c2C3=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ P2RY4 P51582 4/20 0.41
▸ BPTF Q12830 1/20 0.40
▸ HRAS P01112 1/20 0.39
▸ KRAS P01116 1/20 0.39
▸ P2RY12 Q9H244 2/20 0.39
▸ NAT1 P18440 1/20 0.39
▸ PRKCA P17252 1/20 0.37
▸ TERT O14746 2/20 0.37
▸ PTPRC P08575 1/20 0.37

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
SCHEMBL2871232 0.89 MEN1 (0.50) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL29637824 0.89 MEN1 (0.50) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL10812574 0.88 P2RY4 (0.45) ADORA2AP2RY4P2RY12NAT1PRKCA
SCHEMBL10809532 0.82 P2RY2 (0.52) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL10940967 0.79 P2RY4 (0.50) MEN1MAPK1KMT2AADORA2AP2RY4
SCHEMBL11491441 0.79 P2RY2 (0.55) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL11540883 0.74 P2RY4 (0.61) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL10809013 0.74 SRC (0.45) MAPTKMT2AADORA2AP2RY2MET
SCHEMBL13717469 0.74 P2RY12 (0.57) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL20333934 0.73 MEN1 (0.46) MEN1NPC1LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4676803-A Reactive azo dyestuffs, free from anionic groups and containing a basic group and halogenotriazinyl radical and useful for dyeing cellulose/polyester BAYER AKTIENGESELLSCHAFT (DE) 1987-06-30 — — US disclosed
US-4503224-A FIBER-REACTIVE, COTTON-POLYESTER BLENDS BAYER AKTIENGESELLSCHAFT (DE) 1985-03-05 — — US disclosed
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