SCHEMBL9448353

SCHEMBL9448353

CN(c1cccc(C(N)=O)c1)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.45
KMT2A Q03164 1/20 0.41
FYN P06241 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
PARP15 Q460N3 2/20 0.38
PARP10 Q53GL7 2/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
TNKS O95271 1/20 0.36
PARP14 Q460N5 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 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
SCHEMBL893991 0.77 PARP1 (0.57) PARP1KMT2AFYNSMN1; SMN2MAPT
SCHEMBL4252143 0.77 PARP1 (0.57) PARP1KMT2AFYNSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL3862436 0.75 PARP1 (0.55) PARP1KMT2AFYNSMN1; SMN2MAPT
SCHEMBL15387056 0.74 PARP1 (0.53) PARP1KMT2AFYNMAPTPARP15
SCHEMBL26402675 0.72 PARP1 (0.52) PARP1KMT2AFYNMAPTPARP15
SCHEMBL3106119 0.72 PARP1 (0.52) PARP1FYNMAPTPARP15PARP10
SCHEMBL27771979 0.72 EGFR (0.39) KMT2ASMN1; SMN2MAPT
SCHEMBL5842819 0.72 PARP1 (0.47) PARP1FYNSMN1; SMN2MAPTPARP15
SCHEMBL3110681 0.71 PARP1 (0.50) PARP1KMT2AFYNMAPTPARP15
SCHEMBL3103043 0.71 PARP1 (0.50) PARP1KMT2AFYNMAPTPARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5215738-A Used for destroying hypoxic tumor cells SRI INTERNATIONAL (US) 1993-06-01 US disclosed
WO-1986006628-A1 BENZAMIDE AND NICOTINAMIDE RADIOSENSITIZERS SRI INTERNATIONAL (US) 1986-11-20 WO disclosed