SCHEMBL7834019

SCHEMBL7834019

CC(=O)Nc1ccc2oc(C(=O)O)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.55
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
TP53 P04637 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
PKM P14618 1/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 2/20 0.52
PIM2 Q9P1W9 2/20 0.51
MMP2 P08253 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.50
CSNK2A1 P68400 2/20 0.48
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48

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
SCHEMBL13853582 0.87 PIM1 (0.58) PIM1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL22898909 0.86 RAB9A (0.60) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL7836097 0.85 RAB9A (0.53) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL8715797 0.83 PIM1 (0.54) PIM1NPC1RAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL8712778 0.82 PIM1 (0.53) PIM1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL11337269 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL5560749 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL24522309 0.80 MMP13 (0.55) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL22272526 0.80 CA12 (0.51) PIM1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6176302 0.80 PIM1 (0.54) PIM1NPC1RAB9ASMN1; SMN2TP53

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-0918752-A4 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RES INC (US) 2001-11-21 EP disclosed
EP-0918752-A2 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RESEARCH, INC. (US) 1999-06-02 EP disclosed
US-5843937-A DNA-binding indole derivatives, their prodrugs and immunoconjugates as anticancer agents PANORAMA RESEARCH, INC. (US) 1998-12-01 US disclosed
WO-1997044000-A2 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RESEARCH, INC. (US) 1997-11-27 WO disclosed