SCHEMBL26862920

SCHEMBL26862920

NCCNC(=O)c1ccc2c(c1)C(=O)c1nc3cc(F)ccc3c(=O)n1-2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 15/20 0.53
▸ TDO2 P48775 15/20 0.53
▸ IDO2 Q6ZQW0 7/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ APAF1 O14727 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ MITF O75030 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TERT O14746 2/20 0.46
▸ MAPK14 Q16539 1/20 0.44

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
Hydrochloric Acid SCHEMBL26614186 0.99 IDO1 (0.53) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26614119 0.91 IDO1 (0.57) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26614146 0.89 APAF1 (0.53) IDO1TDO2IDO2MEN1APAF1
SCHEMBL30639128 0.85 IDO1 (0.50) IDO1TDO2IDO2MEN1APAF1
SCHEMBL4585634 0.80 IDO1 (0.80) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26614232 0.80 APAF1 (0.57) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26614250 0.78 TERT (0.46) IDO1TDO2IDO2MEN1APAF1
SCHEMBL30639057 0.78 APAF1 (0.50) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26614211 0.78 APAF1 (0.50) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26855341 0.78 MEN1 (0.43) IDO1MEN1APAF1KMT2ATERT

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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