SCHEMBL6562213

SCHEMBL6562213

Cc1ccc(CCN[C]=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 1/20 0.43
PLAAT3 P53816 2/20 0.42
PLAAT5 Q96KN8 2/20 0.42
PLAAT2 Q9NWW9 2/20 0.42
PLAAT4 Q9UL19 2/20 0.42
GPR84 Q9NQS5 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6561077 0.79 TAAR1 (0.55) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL350048 0.79 TAAR1 (0.55) ALDH1A1CYP1A2TAAR1CA12CA1
SCHEMBL2701813 0.79 TMEM97 (0.55) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5944075 0.79 SMN1; SMN2 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2TAAR1
SCHEMBL349780 0.78 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL515532 0.78 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL6562364 0.76 KCNJ1 (0.50) CYP2A6CA12CA1CA2CA9
SCHEMBL5420659 0.76 FFAR1 (0.48) KMT2AMEN1TAAR1CNR1FFAR1
SCHEMBL1302121 0.75 TDP1 (0.46) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL11180445 0.75 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US claimed
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed
EP-0171217-B1 FUSED-RING HETEROCYCLIC COMPOUNDS A PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SANKYO COMPANY LIMITED (JP) 1989-05-03 EP disclosed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US disclosed
EP-0171217-A2 Fused-ring heterocyclic compounds a process for their production and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1986-02-12 EP disclosed