SCHEMBL30639114

SCHEMBL30639114

CO/N=C1/c2cc(C#N)ccc2-n2c1nc1c(Nc3ccc(F)cc3)cccc1c2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 8/20 0.42
▸ TDO2 P48775 2/20 0.36
▸ IDO2 Q6ZQW0 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CDC7 O00311 1/20 0.34
▸ PSEN1 P49768 4/20 0.34
▸ PSEN2 P49810 4/20 0.34
▸ APH1B Q8WW43 4/20 0.34
▸ NCSTN Q92542 4/20 0.34
▸ APH1A Q96BI3 4/20 0.34
▸ PSENEN Q9NZ42 4/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GRIN1 Q05586 2/20 0.33

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
SCHEMBL26614215 1.00 IDO1 (0.42) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26614116 0.92 IDO1 (0.48) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26864086 0.89 TDP2 (0.36) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26857749 0.89 TDP2 (0.36) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26614101 0.86 IDO1 (0.47) IDO1TDO2IDO2MEN1APAF1
SCHEMBL30639067 0.86 IDO1 (0.47) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26614267 0.81 IDO1 (0.44) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26855094 0.77 CTNNB1 (0.42) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26614249 0.77 IDO1 (0.60) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26614138 0.72 IDO1 (0.55) IDO1TDO2IDO2MEN1APAF1

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
EP-4514804-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF Viscient Bio, Inc. (US) 2025-03-05 — — EP disclosed
WO-2023211977-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. (US) 2023-11-02 — — WO disclosed
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