SCHEMBL23588060

SCHEMBL23588060

CN/C(Cc1cc(Cl)cc(Cl)c1)=N\O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.33
▸ TSHR P16473 2/20 0.32
▸ CTBP2 P56545 2/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ TPMT P51580 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ ANO1 Q5XXA6 1/20 0.31
▸ ACLY P53396 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ GRN P28799 1/20 0.30
▸ SORT1 Q99523 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL836715 0.68 HTR3E (0.41) IDO1TSHRCTBP2ALDH1A1CYP3A4
SCHEMBL12246860 0.68 HTR3E (0.41) IDO1TSHRCTBP2ALDH1A1CYP3A4
SCHEMBL48901 0.66 IDO1 (0.43) IDO1TSHRCTBP2TPMTP2RX7
Hydrochloric Acid SCHEMBL11680469 0.65 IDO1 (0.45) IDO1CTBP2TAAR1POLBRAB9A
Hydrochloric Acid SCHEMBL11679199 0.65 IDO1 (0.45) IDO1CTBP2TAAR1POLBRAB9A
Hydrochloric Acid SCHEMBL11680203 0.65 IDO1 (0.45) IDO1CTBP2TAAR1POLBRAB9A
SCHEMBL15018565 0.65 IDO1 (0.39) IDO1TSHRP2RX7ANO1ACLY
SCHEMBL1873789 0.65 HSP90AB1 (0.62) TSHRACLYGAAPOLBRAB9A
Hydrochloric Acid SCHEMBL11680107 0.65 HTR3E (0.47) IDO1CTBP2TAAR1ALDH1A1CYP3A4
SCHEMBL3340427 0.64 CD274 (0.46) IDO1TSHRTAAR1GAACYP3A4

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-2021130492-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2021-07-01 — — WO disclosed
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