SCHEMBL19983837

SCHEMBL19983837

CNCc1c[nH]c2cc(-c3cccc(NC(C)=O)c3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.53
HSD17B2 P37059 2/20 0.53
AAK1 Q2M2I8 1/20 0.48
CYP17A1 P05093 4/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
AKT1 P31749 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NQO2 P16083 2/20 0.44
PLAU P00749 1/20 0.44
PLAUR Q03405 1/20 0.44
NTRK1 P04629 1/20 0.43

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
SCHEMBL19983923 0.78 GPR84 (0.51)
SCHEMBL2953504 0.71 KDM4E (0.60) MEN1KMT2AKDM4E
SCHEMBL19983776 0.71 CHRNB2 (0.42) KDM4EALDH1A1
SCHEMBL8577619 0.70 SMN1; SMN2 (0.70) HSD17B1HSD17B2CYP17A1CYP11B1CYP11B2
SCHEMBL7807902 0.70 BRD4 (0.54) AKT1MEN1KMT2AKDM4EALDH1A1
SCHEMBL19983869 0.70 MMP2 (0.46) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL3786463 0.69 NQO2 (0.73) HSD17B1HSD17B2CYP17A1CYP11B1CYP11B2
SCHEMBL19984002 0.68 CHRNB2 (0.51) MEN1KMT2ANTRK1
SCHEMBL19984287 0.68 MAPT (0.45) AAK1MAPT
SCHEMBL19984159 0.68 SCN9A (0.36) MEN1KMT2AKDM4EALDH1A1HPGD

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed