SCHEMBL6846903

SCHEMBL6846903

CCC(=O)C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 4/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
NAPRT Q6XQN6 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 3/20 0.53
TP53 P04637 2/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 1/20 0.52
EPHX2 P34913 1/20 0.52
CDK9 P50750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50

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
SCHEMBL11606937 0.89 ATM (0.52) MAPTGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL11607825 0.86 GPR35 (0.59) MAPTGAASMN1; SMN2RAB9AHSD17B10
SCHEMBL6933402 0.84 ALDH1A1 (0.59) MAPTGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL3815000 0.83 MAPT (0.56) MAPTGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL11608026 0.83 TP53 (0.55) MAPTGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL9773047 0.82 MAPT (0.58) MAPTGAASMN1; SMN2RAB9ANPC1
SCHEMBL5956218 0.81 HDAC1 (0.58) MAPTGAAALDH1A1KMT2AEPHX1
SCHEMBL2301897 0.81 KMT2A (0.54) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL15661401 0.80 MAPT (0.53) MAPTGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL10992089 0.80 LMNA (0.53) MAPTSMN1; SMN2RAB9AKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104059083-B asymmetric synthesis method of chiral dicyclo caprolactam compound 浙江工业大学 2017-01-04 CN disclosed
CN-104059083-A Asymmetric synthesis method of chiral dicyclo caprolactam compound UNIV ZHEJIANG TECHNOLOGY 2014-09-24 CN disclosed
EP-1311160-A4 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INST SCI & TECH (KR) 2004-04-21 EP disclosed
EP-1311160-A1 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-05-21 EP disclosed
WO-2002013611-A1 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-02-21 WO disclosed