SCHEMBL27770371

SCHEMBL27770371

CNc1cccc(Cl)c1N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
DOT1L Q8TEK3 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ADRA2A P08913 2/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
RAPGEF4 Q8WZA2 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
SCHEMBL16746561 0.79 CYP1A2 (0.43) HTTDOT1LNISCHMAPTALDH1A1
SCHEMBL22512241 0.75 CYP3A4 (0.36) MAPTALDH1A1KDM4EUSP2POLB
SCHEMBL29661766 0.73 MEN1 (0.50) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL5914549 0.73 MEN1 (0.50) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL100946 0.72
SCHEMBL9232217 0.71 MAPT (0.53) HTTNISCHMAPTALDH1A1KDM4E
SCHEMBL30368237 0.71 MAPT (0.53) HTTNISCHMAPTALDH1A1KDM4E
SCHEMBL21395985 0.71 ESR1 (0.40) HTTDOT1LALDH1A1KDM4ERAB9A
SCHEMBL3787606 0.71 MAPT (0.44) HTTDOT1LMAPTALDH1A1KDM4E
SCHEMBL3792624 0.71 RAPGEF4 (0.40) MAPTALDH1A1KDM4EUSP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495120-A Composition for induction or inhibition of stem cell differentiation CHOONGWAE PHARMA CORP (KR) 2009-07-29 CN disclosed