SCHEMBL26614198

SCHEMBL26614198

O=C(O)Nc1ccc2nc3n(c(=O)c2c1)-c1ccc(-c2nn[nH]n2)cc1C3=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 10/20 0.47
▸ IDO1 P14902 8/20 0.47
▸ IDO2 Q6ZQW0 7/20 0.47
▸ APAF1 O14727 2/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ AGTR2 P50052 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL26857588 0.89 TDO2 (0.43) TDO2IDO1IDO2APAF1AGTR1
SCHEMBL30639071 0.89 TDO2 (0.43) TDO2IDO1IDO2APAF1AGTR1
SCHEMBL26614260 0.76 TDO2 (0.52) TDO2IDO1IDO2APAF1MEN1
SCHEMBL30639102 0.73 TDO2 (0.42) TDO2IDO1IDO2APAF1MEN1
SCHEMBL26857739 0.71 IDO1 (0.69) TDO2IDO1IDO2APAF1MEN1
Hydrochloric Acid SCHEMBL26614206 0.71 TDO2 (0.68) TDO2IDO1IDO2APAF1MEN1
SCHEMBL26614121 0.69 IDO1 (0.70) TDO2IDO1IDO2APAF1MEN1
SCHEMBL9220971 0.69 TDO2 (0.66) TDO2IDO1IDO2APAF1MEN1
SCHEMBL9222336 0.68 TDO2 (0.63) TDO2IDO1IDO2APAF1MEN1
SCHEMBL24513682 0.68 APAF1 (0.67) TDO2IDO1IDO2APAF1MEN1

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-2023211977-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. (US) 2023-11-02 — — WO disclosed
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