SCHEMBL3711522

SCHEMBL3711522

Cc1[c]sc2cc(C(N)=O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
GLA P06280 1/20 0.41
PARP1 P09874 6/20 0.41
DYRK1A Q13627 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.36
LCK P06239 1/20 0.36
ILK Q13418 1/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BRPF1 P55201 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
APP P05067 1/20 0.35
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
PARP10 Q53GL7 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL3572338 0.68 GPR35 (0.55) PARP1DYRK1AILKTSHR
SCHEMBL5327647 0.64 PARP1 (0.39) KDM4EGLAPARP1DYRK1ATDP1
SCHEMBL29503140 0.64 PRSS1 (0.61) PARP1TDP1KMT2ALCKALDH1A1
SCHEMBL1002832 0.64 PRSS1 (0.61) PARP1TDP1KMT2ALCKALDH1A1
SCHEMBL24052275 0.63 NPC1 (0.76) DYRK1AKMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL30507791 0.63 KDM4E (0.50) KDM4EGLAPARP1TDP1KMT2A
SCHEMBL8574737 0.63 DYRK1A (0.62) KDM4EDYRK1ATDP1KMT2AILK
SCHEMBL25278485 0.62 PARP1 (0.40) KDM4EPARP1DYRK1ATDP1LCK
SCHEMBL2128609 0.62 PARP1 (0.52) KDM4EPARP1TDP1LCKBRD4
SCHEMBL9541786 0.62 PARP1 (0.52) KDM4EPARP1KMT2ALCKBRD4

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
WO-2010080397-A1 SULFAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-15 WO disclosed