SCHEMBL30639109

SCHEMBL30639109

COC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)ccc3c(=O)n1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 2/20 0.58
▸ IDO1 P14902 9/20 0.55
▸ TDO2 P48775 6/20 0.50
▸ IDO2 Q6ZQW0 6/20 0.50
▸ EGFR P00533 1/20 0.48
▸ CASP3 P42574 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL26614173 1.00 APAF1 (0.58) APAF1IDO1TDO2IDO2EGFR
SCHEMBL30639101 0.87 APAF1 (0.67) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614168 0.87 APAF1 (0.67) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614157 0.86 APAF1 (0.62) APAF1IDO1TDO2IDO2EGFR
SCHEMBL30639072 0.86 APAF1 (0.62) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26858212 0.82 TDO2 (0.70) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614232 0.82 APAF1 (0.57) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614146 0.81 APAF1 (0.53) APAF1IDO1TDO2IDO2EGFR
SCHEMBL30639091 0.81 APAF1 (0.61) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614118 0.81 APAF1 (0.61) APAF1IDO1TDO2IDO2EGFR

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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