SCHEMBL6965384

SCHEMBL6965384

C=C(Br)C(=O)Nc1ccc2c(c1)nc(C(=O)O)n2C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.46
NPC1 O15118 11/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 2/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL6182307 0.77 MCL1 (0.56) MAPTKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL11266333 0.73 SMN1; SMN2 (0.51) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL6972868 0.72 HRAS (0.54) RAB9ANPC1MAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6976271 0.71 HRAS (0.54) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL11248902 0.70 MEN1 (0.46) RAB9ANPC1RECQLLMNAALDH1A1
SCHEMBL6970444 0.69 EGFR (0.53) RAB9ANPC1SMN1; SMN2POLBCYP2C19
SCHEMBL6970911 0.69 RAB9A (0.44) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL6964928 0.69 PIN1 (0.43) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL2364886 0.68 PKM (0.44) MAPTKDM4ECYP1A2CYP2C19LMNA
SCHEMBL3637649 0.68 NPC1 (0.53) RAB9ANPC1MAPTKDM4ESMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937070-B1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA ITALIA SPA (IT) 2003-12-03 EP disclosed
US-6153642-A Benzoheterocyclic distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-28 US disclosed
EP-0937070-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1999-08-25 EP disclosed
WO-1998021202-A1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1998-05-22 WO disclosed