SCHEMBL6965186

SCHEMBL6965186

N#Cc1c[c]ccc1NCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
HPGD P15428 4/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 7/20 0.41
TAAR1 Q96RJ0 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CDKN1A P38936 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL22784143 0.79 CCNC (0.51) KDM4EHPGDTSHRHSD17B10CCNC
SCHEMBL6995037 0.75 L3MBTL1 (0.44) KDM4ETSHRL3MBTL1ALDH1A1TAAR1
SCHEMBL6971345 0.72 KMT2A (0.55) CCNCCDK8ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3288225 0.70 NPC1 (0.63) KDM4EHPGDTSHRHSD17B10CCNC
SCHEMBL27604839 0.70 KMT2A (0.52) CCNCCDK8SMN1; SMN2RAB9ANPC1
SCHEMBL5544020 0.70 L3MBTL1 (0.70) TSHRL3MBTL1ALDH1A1TAAR1SMN1; SMN2
SCHEMBL27463401 0.69 L3MBTL1 (0.63) KDM4ETSHRL3MBTL1ALDH1A1TAAR1
SCHEMBL28093432 0.69 KDM4E (0.39) KDM4EHPGDTSHRHSD17B10L3MBTL1
SCHEMBL6216630 0.68 L3MBTL1 (0.43) KDM4EHPGDTSHRHSD17B10CCNC
SCHEMBL6971569 0.68 ROCK2 (0.38) TSHR

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed