SCHEMBL7836097

SCHEMBL7836097

COC(=O)c1cc2cc(NC(C)=O)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
TP53 P04637 2/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP1A2 P05177 1/20 0.49
MMP2 P08253 1/20 0.47
CDK1 P06493 1/20 0.47
HTT P42858 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
GAA P10253 2/20 0.45

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
SCHEMBL24522309 0.86 MMP13 (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7834019 0.85 PIM1 (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL22898909 0.84 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL22272855 0.82 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5101629 0.82 LMNA (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL22272527 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL211674 0.78 FLT3 (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1065473 0.78 TAS1R3 (0.55) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL445684 0.78 LMNA (0.68) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL446971 0.77 TAS1R3 (0.64) SMN1; SMN2MEN1KMT2ATP53MAPT

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