SCHEMBL9517136

SCHEMBL9517136

O=C(Cl)c1ccc(S(=O)(=O)Cl)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 7/20 0.43
FLT4 P35916 7/20 0.43
KDR P35968 7/20 0.43
CA2 P00918 7/20 0.36
CA1 P00915 6/20 0.36
CA9 Q16790 4/20 0.36
CA12 O43570 3/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
GPR27 Q9NS67 2/20 0.35
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AVPR2 P30518 1/20 0.34
CA3 P07451 1/20 0.33
CA13 Q8N1Q1 1/20 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
SCHEMBL20449115 0.85 CA12 (0.44) FLT1FLT4KDRCA2CA1
SCHEMBL17094979 0.85 HSD17B10 (0.43) FLT1FLT4KDRCA2CA1
SCHEMBL1259363 0.84 LMNA (0.49) FLT1FLT4KDRCA2CA1
SCHEMBL7993462 0.82 ALDH1A1 (0.38) FLT1FLT4KDRHSD17B10ALDH1A1
SCHEMBL16908460 0.80 ALDH1A1 (0.43) FLT1FLT4KDRCA2CA1
SCHEMBL3163226 0.79 FLT1 (0.43) FLT1FLT4KDRGPR27AVPR2
SCHEMBL28174295 0.76 CA1 (0.33) FLT1FLT4KDRCA2CA1
SCHEMBL3194901 0.76 CA2 (0.43) FLT1FLT4KDRCA2CA1
SCHEMBL397333 0.76 LMNA (0.51) FLT1FLT4KDRALDH1A1
SCHEMBL11222667 0.76 ALDH1A1 (0.49) CA2CA1CA9CA12CA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447421-B1 PREPARATION OF 2-(CHLORO, BROMO OR NITRO)-4-(ALKYLSULFONYL)BENZOIC ACIDS AND INTERMEDIATES ZENECA INC (US) 1993-12-15 EP disclosed
US-5157150-A Preparation of 2-(chloro, bromo or nitro)-4-(alkylsulfonyl)benzoic acids and intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-20 US disclosed
US-5008448-A Preparation of 2-(chloro, bromo or nitro)-4-(alkyl-sulfonyl)benzoic acids and intermediates ICI AMERICAS INC. (US) 1991-04-16 US disclosed
WO-1990006301-A1 PREPARATION OF 2-(CHLORO, BROMO OR NITRO)-4-(ALKYLSULFONYL)BENZOIC ACIDS AND INTERMEDIATES ICI AMERICAS INC. (US) 1990-06-14 WO disclosed