SCHEMBL9730856

SCHEMBL9730856

O=CNC=Cc1cc2ccccc2cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
EGFR P00533 2/20 0.60
GAA P10253 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
POLB P06746 1/20 0.60
PKM P14618 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
AR P10275 1/20 0.43
SYK P43405 1/20 0.39
ECE2 P0DPD6 2/20 0.38
ECE1 P42892 2/20 0.38
MUS81 Q96NY9 2/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
DAO P14920 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
SCHEMBL9320066 0.78 MAPT (0.62) MAPTEGFRGAATDP1KDM4E
SCHEMBL9320061 0.78 MAPT (0.62) MAPTEGFRGAATDP1KDM4E
SCHEMBL9732248 0.78 ALDH1A1 (0.46) MAPTEGFRGAATDP1KDM4E
SCHEMBL9732495 0.76 MAPT (0.53) MAPTEGFRGAATDP1KDM4E
SCHEMBL9731076 0.76 MAPT (0.53) MAPTEGFRGAATDP1KDM4E
SCHEMBL9732522 0.76 EGFR (0.55) MAPTEGFRGAATDP1KDM4E
SCHEMBL669781 0.75 TRIM24 (0.54) TDP1ARECE2ECE1MUS81
SCHEMBL31194371 0.75 TRIM24 (0.54) TDP1ARECE2ECE1MUS81
SCHEMBL668600 0.75 TRIM24 (0.54) TDP1ARECE2ECE1MUS81
SCHEMBL9322697 0.75 EGFR (0.74) MAPTEGFRGAATDP1KDM4E

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-5122537-A Tyrosine kinase inhibitors FARMITALIA CARLO ERBA S.R.L. (IT) 1992-06-16 US claimed
US-5122537-A Tyrosine kinase inhibitors FARMITALIA CARLO ERBA S.R.L. (IT) 1992-06-16 US disclosed