SCHEMBL22353072

SCHEMBL22353072

O=C(Cc1ccccc1F)Nc1ccc(-n2cc(F)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
ELOVL1 Q9BW60 2/20 0.53
RAB9A P51151 5/20 0.52
LMNA P02545 5/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ANO1 Q5XXA6 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA2 P17301 1/20 0.42
NAMPT P43490 1/20 0.42
GLS O94925 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
SCHEMBL22352984 0.88 ALDH1A1 (0.59) ALDH1A1ELOVL1RAB9ALMNANPC1
SCHEMBL19576953 0.88 ALDH1A1 (0.53) ALDH1A1ELOVL1RAB9ALMNANPC1
SCHEMBL19576990 0.88 CA12 (0.52) ALDH1A1ELOVL1RAB9ALMNANPC1
SCHEMBL19577012 0.88 KMT2A (0.47) ALDH1A1RAB9ALMNANPC1KMT2A
SCHEMBL19576836 0.88 KCNJ5 (0.55) ALDH1A1LMNASMN1; SMN2
SCHEMBL19576846 0.85 ALDH1A1 (0.50) ALDH1A1ELOVL1RAB9ALMNANPC1
SCHEMBL22353189 0.85 ALDH1A1 (0.50) ALDH1A1ELOVL1RAB9ALMNANPC1
SCHEMBL19576983 0.84 SMN1; SMN2 (0.43) ALDH1A1RAB9ALMNASMN1; SMN2ITGB1
SCHEMBL19576985 0.81 P2RX7 (0.48) LMNA
SCHEMBL19576877 0.80 RECQL (0.52) ALDH1A1LMNAKMT2AMEN1

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-3458443-B1 AROMATIC SULFONAMIDE DERIVATIVES Bayer Pharma AG (DE) 2020-08-19 EP disclosed