SCHEMBL1737534

SCHEMBL1737534

CCOCc1c(C)n(Cc2ccccc2)c2c(-c3ccc(SC)cc3)nccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.37
DYRK1A Q13627 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
AVPR1A P37288 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GABRA5 P31644 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
F2RL3 Q96RI0 1/20 0.32
PDE6D O43924 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP2 O95551 1/20 0.32
AR P10275 1/20 0.31
MAPT P10636 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
Hydrochloric Acid SCHEMBL1737963 0.99 MCL1 (0.36) MCL1DYRK1APTGDR2AVPR1APOLB
SCHEMBL1736032 0.89 GPR119 (0.39) MCL1DYRK1APTGDR2NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL1736670 0.88 GPR119 (0.38) MCL1DYRK1APTGDR2NPSR1ALDH1A1
SCHEMBL1736646 0.87 POLB (0.41) MCL1DYRK1APTGDR2POLBKDM4E
Hydrochloric Acid SCHEMBL1736636 0.86 POLB (0.40) MCL1DYRK1APTGDR2POLBKDM4E
SCHEMBL1737338 0.83 FABP4 (0.44) MCL1DYRK1APOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL1736565 0.82 FABP4 (0.44) MCL1DYRK1APOLBMEN1KMT2A
SCHEMBL1735938 0.76 MCL1 (0.45) MCL1DYRK1APTGDR2POLBKDM4E
Hydrochloric Acid SCHEMBL1736841 0.75 MCL1 (0.44) MCL1DYRK1APTGDR2POLBKDM4E
SCHEMBL1737492 0.75 RAB9A (0.44) MCL1PTGDR2MEN1KMT2AKDM4E

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
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed