SCHEMBL31735555

SCHEMBL31735555

Clc1cc(-c2cccnc2)c2cc[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 2/20 0.52
▸ TDO2 P48775 3/20 0.51
▸ GSK3B P49841 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ METAP2 P50579 1/20 0.46
▸ CYP11B1 P15538 3/20 0.45
▸ AURKA O14965 1/20 0.45
▸ TPX2 Q9ULW0 1/20 0.45
▸ CYP2A6 P11509 2/20 0.44
▸ HPGDS O60760 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PIK3CD O00329 2/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ CYP17A1 P05093 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ CYP3A4 P08684 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
SCHEMBL5831050 0.78 PIK3CD (0.68) NUDT1TDO2GSK3BDYRK1ACYP11B1
SCHEMBL31735593 0.75 BRD4 (0.62) —
SCHEMBL3931939 0.71 PIK3CD (0.54) NUDT1TDO2GSK3BDYRK1AHPGDS
SCHEMBL30173320 0.71 NUDT1 (0.68) NUDT1GSK3BDYRK1ACYP11B1CYP2A6
SCHEMBL30173327 0.71 NUDT1 (0.68) NUDT1GSK3BDYRK1ACYP11B1CYP2A6
SCHEMBL28602236 0.71 NUDT1 (0.68) NUDT1GSK3BDYRK1ACYP11B1CYP2A6
SCHEMBL5989061 0.70 CYP2A6 (0.50) CYP11B1CYP2A6KDM4EALDH1A1CYP17A1
SCHEMBL3927529 0.70 CSNK2B (0.51) NUDT1GSK3BHPGDSPIK3CDPIK3CB
SCHEMBL23487652 0.69 CYP2A6 (0.53) CYP11B1CYP2A6ALDH1A1CYP17A1CYP11B2
SCHEMBL7582709 0.69 CYP2A6 (0.53) CYP11B1CYP2A6KDM4EALDH1A1CYP17A1

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-2025245484-A1 FOXN1 ACTIVATORS THYMOFOX INC. (US) 2025-11-27 — — WO disclosed
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