SCHEMBL8440765

SCHEMBL8440765

COC(=O)c1cc(C(=O)NCCN(C)C)cc(-c2cc(Cl)sc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
USP2 O75604 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
GAA P10253 2/20 0.38
ADORA1 P30542 1/20 0.38
PDE4B Q07343 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FYN P06241 1/20 0.37
MEN1 O00255 1/20 0.37
RAD52 P43351 1/20 0.37
PAX8 Q06710 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL8439277 0.94 PDE4B (0.43) MAPK1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL8440267 0.89 TMEM97 (0.43) MAPK1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL8440805 0.85 MAPK1 (0.42) MAPK1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL8443204 0.83 TSHR (0.41) MAPK1ALDH1A1HPGDCYP1A2LMNA
SCHEMBL8444315 0.83 CA12 (0.42) ALDH1A1HPGDKMT2ASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL6134503 0.82 MAPK1 (0.41) MAPK1USP2ALDH1A1HPGDKMT2A
SCHEMBL8440609 0.81 HPGD (0.46) MAPK1USP2ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL8440407 0.80 SMN1; SMN2 (0.52) ALDH1A1KMT2ASMN1; SMN2LMNAGLA
SCHEMBL8005080 0.80 KMT2A (0.51) MAPK1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL8817646 0.80 CYP4A11 (0.35) MAPK1ALDH1A1HPGDKMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed