SCHEMBL23189191

SCHEMBL23189191

Cc1cc(Cl)cc2c1NC(=O)C(I)CC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.40
▸ SRD5A1 P18405 7/20 0.33
▸ HTR2C P28335 1/20 0.32
▸ USP2 O75604 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ POLB P06746 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL15964660 0.82 HTR2C (0.34) SRD5A1HTR2C
SCHEMBL23189195 0.82 RIPK1 (0.35) SRD5A1
SCHEMBL15964662 0.73 AHR (0.50) SRD5A1HTR2C
SCHEMBL23189074 0.73 TP53 (0.32) ALDH1A1TP53ALOX15HSD17B10
SCHEMBL23189097 0.72 CES1 (0.44) CES1SRD5A1ALDH1A1MAPTTP53
SCHEMBL15964661 0.71 DDB1 (0.31) —
SCHEMBL9405624 0.70 AHR (0.50) SRD5A1HTR2CTP53
SCHEMBL15964668 0.70 RIPK1 (0.41) —
SCHEMBL5357730 0.69 GRIA1 (0.49) CES1MAPTTP53TDP1
SCHEMBL18743979 0.67 HTR5A (0.40) SRD5A1ALDH1A1POLB

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
EP-3508484-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-04-07 — — EP disclosed
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