SCHEMBL31249012

SCHEMBL31249012

NC(=S)c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.46
▸ TSHR P16473 2/20 0.44
▸ CTSD P07339 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 4/20 0.42
▸ PLAU P00749 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13606472 0.84 TSHR (0.49) GPR35TSHRCTSDALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28210415 0.83 TSHR (0.47) GPR35TSHRCTSDALDH1A1MEN1
SCHEMBL1206488 0.82 CTSD (0.58) GPR35CTSDALDH1A1GAAMEN1
SCHEMBL11823030 0.81 GPR35 (0.47) GPR35TSHRCTSDALDH1A1GAA
SCHEMBL1784383 0.79 TSHR (0.65) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL27966670 0.79 GPR35 (0.46) GPR35TSHRCTSDALDH1A1GAA
SCHEMBL16951731 0.79 TSHR (0.50) GPR35TSHRCTSDALDH1A1MEN1
SCHEMBL6402 0.79 TSHR (0.64) GPR35TSHRCTSDALDH1A1GAA
SCHEMBL29025719 0.79 TSHR (0.50) GPR35TSHRCTSDALDH1A1MEN1
SCHEMBL6903592 0.78 ALDH1A1 (0.44) GPR35TSHRCTSDALDH1A1GAA

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-3773577-B1 TRICYCLIC ASK1 INHIBITORS TERNS INC (US) 2024-11-20 — — EP disclosed
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