SCHEMBL21396932

SCHEMBL21396932

COc1ccc(N2CCC(C(C)N/C(=N/S(C)(=O)=O)Nc3ccc(Cl)cc3)CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
KCNJ11 Q14654 1/20 0.38
ACACB O00763 3/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ITGB1 P05556 1/20 0.35

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
SCHEMBL21384612 0.83 L3MBTL1 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL21384615 0.83 L3MBTL1 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL21385836 0.80 MEN1 (0.42) F10MEN1KMT2AMAPTALDH1A1
SCHEMBL21385835 0.80 MEN1 (0.42) F10MEN1KMT2AMAPTALDH1A1
SCHEMBL30574424 0.74 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL30574421 0.74 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL30574427 0.72 CHRNB2 (0.42) F10CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21385166 0.72 CHRNB2 (0.42) F10CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28456220 0.71 MAPT (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL21384592 0.68 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3ACACB

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-2019179362-A1 AMIDINE AND GUANIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USES THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 WO disclosed