SCHEMBL23889758

SCHEMBL23889758

Cc1c(I)cncc1-c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 10/20 0.49
▸ CYP3A4 P08684 4/20 0.49
▸ CYP2E1 P05181 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2B6 P20813 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ ACLY P53396 1/20 0.45
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12915119 0.81 CYP2A6 (0.56) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL30546895 0.80 CYP2A6 (0.50) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL29248879 0.80 CYP2A6 (0.50) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL5511611 0.79 CYP2A6 (0.49) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL29248875 0.79 CYP2A6 (0.49) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL19961427 0.77 CYP2A6 (0.56) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL334755 0.77 CYP2A6 (0.56) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL22272472 0.76 CYP2A6 (0.46) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL14803290 0.76 CYP2A6 (0.46) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL22351934 0.74 CYP2A6 (0.51) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9

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
EP-3528808-B1 METHODS OF USING INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS BIOSPLICE THERAPEUTICS INC (US) 2021-10-06 — — EP disclosed
Send feedback