SCHEMBL10592529

SCHEMBL10592529

O=C(CNC(=O)C(F)(F)F)c1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ PLOD3 O60568 1/20 0.38
▸ PLOD1 Q02809 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALOX12 P18054 2/20 0.35
▸ CA3 P07451 2/20 0.34
▸ CA5A P35218 2/20 0.34
▸ CA5B Q9Y2D0 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ PTPN1 P18031 2/20 0.33

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
SCHEMBL940303 0.82 MEN1 (0.52) PLOD2ALDH1A1SMN1; SMN2POLBPLOD3
SCHEMBL9777993 0.81 NPC1 (0.46) PLOD2ALDH1A1SMN1; SMN2POLBPTPN1
SCHEMBL23410286 0.81 PLOD2 (0.61) PLOD2ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL21774348 0.79 GSK3B (0.51) PLOD2ALDH1A1MEN1KMT2ACA2
SCHEMBL9778037 0.73 EPHX2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27294641 0.72 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL9777981 0.72 CYP4F2 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL28775880 0.72 HPGD (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AALOX12
SCHEMBL9777984 0.70 MAPT (0.42) LMNAMAPT
SCHEMBL15904295 0.70 MTNR1A (0.45) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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-0345572-A2 Sulfonamide derivatives, their preparation and pharmaceuticals containing them BASF Aktiengesellschaft (DE) 1989-12-13 — — EP disclosed
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