SCHEMBL9879475

SCHEMBL9879475

CSc1nc(COCc2ccccc2)cc(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
PKM P14618 2/20 0.63
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 3/20 0.51
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.43
SCN9A Q15858 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.42
GPR84 Q9NQS5 1/20 0.42

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
SCHEMBL6024344 0.83 POLB (1.00) POLBPKMALDH1A1KMT2AHPGD
SCHEMBL18003531 0.82 SMN1; SMN2 (0.51) POLBALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL18003534 0.81 POLB (0.70) POLBKMT2AHPGDSMN1; SMN2TSHR
SCHEMBL8265140 0.79 BACE1 (0.67) POLBALDH1A1HPGDTSHRSCN9A
SCHEMBL9878113 0.78 PKM (1.00) POLBPKMALDH1A1KMT2ASMN1; SMN2
SCHEMBL27787220 0.76 POLB (0.64) POLBPKMALDH1A1KMT2AHPGD
SCHEMBL18003930 0.76 FABP4 (0.43) POLBPKMALDH1A1KMT2AHPGD
SCHEMBL25350548 0.73 PKM (0.68) POLBPKMALDH1A1KMT2AHPGD
SCHEMBL9879803 0.73 MEN1 (0.60) POLBALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL26039905 0.72 ALDH1A1 (0.70) POLBALDH1A1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991018887-A1 DIAMINOPYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1991-12-12 WO disclosed