SCHEMBL8175449

SCHEMBL8175449

N=C(N)c1ccc(-c2[c]sc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.49
NQO2 P16083 6/20 0.45
F2 P00734 2/20 0.41
F10 P00742 1/20 0.41
F12 P00748 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
C1S P09871 1/20 0.39
PRSS3 P35030 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TOP1 P11387 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL2956882 0.77 GPR3 (0.37) ALDH1A1
SCHEMBL27552294 0.76 F10 (0.40) WDR5NQO2F2F10F12
SCHEMBL21295742 0.71 NOTUM (0.40) KMT2AALDH1A1HPGDHSD17B10
SCHEMBL2967968 0.69 GSTP1 (0.39) ALDH1A1HPGD
SCHEMBL4021876 0.67 WDR5 (1.00) WDR5NQO2F2F10F12
SCHEMBL394218 0.66 WDR5 (0.80) WDR5NQO2F2F10F12
SCHEMBL8973288 0.66 WDR5 (0.80) WDR5NQO2F2F10F12
SCHEMBL5877790 0.66 GPR3 (0.33) ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL6029673 0.66 WDR5 (0.95) WDR5NQO2F2F10F12
SCHEMBL6956581 0.65 HDAC8 (0.58) WDR5NQO2F2F10F12

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
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed