SCHEMBL30639059

SCHEMBL30639059

O=C1c2cc(C(=O)N3CCNCC3)ccc2-n2c1nc1cc(Cl)ccc1c2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 2/20 0.53
▸ IDO1 P14902 8/20 0.51
▸ TDO2 P48775 7/20 0.47
▸ IDO2 Q6ZQW0 7/20 0.47
▸ CASP1 P29466 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 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
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTGS2 P35354 1/20 0.40

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
SCHEMBL26614187 1.00 APAF1 (0.53) APAF1IDO1TDO2IDO2CASP1
SCHEMBL26614178 0.86 ADORA2A (0.44) APAF1IDO1TDO2IDO2HRH4
SCHEMBL30639084 0.86 ADORA2A (0.44) APAF1IDO1TDO2IDO2HRH4
SCHEMBL26614124 0.84 IDO1 (0.55) APAF1IDO1TDO2IDO2CASP1
SCHEMBL30639089 0.84 IDO1 (0.55) APAF1IDO1TDO2IDO2CASP1
SCHEMBL26614168 0.82 APAF1 (0.67) APAF1IDO1TDO2IDO2EGFR
SCHEMBL30639101 0.82 APAF1 (0.67) APAF1IDO1TDO2IDO2EGFR
SCHEMBL30639072 0.81 APAF1 (0.62) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614157 0.81 APAF1 (0.62) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26857592 0.79 TDO2 (0.52) APAF1IDO1TDO2IDO2

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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