SCHEMBL10567455

SCHEMBL10567455

COc1ccc(C(=O)c2ccccc2F)c(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.50
CDC25B P30305 1/20 0.46
CLCN2 P51788 1/20 0.44
ALOX15 P16050 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KAT6A Q92794 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL10661825 0.88 MAPT (0.52) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL10662162 0.86 MAPK14 (0.49) SMN1; SMN2RAB9AMAPTHPGDALDH1A1
SCHEMBL11541007 0.85 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL11386183 0.85 MAPT (0.46) NPC1RAB9AMAPTHPGDALDH1A1
SCHEMBL10660567 0.85 POLB (0.46) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL10660878 0.84 LMNA (0.55) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL10801573 0.84 L3MBTL1 (0.46) MAPTKMT2AALDH1A1POLBCLCN2
SCHEMBL10658396 0.84 CXCL12 (0.49) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL10657662 0.84 MAPK14 (0.48) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL10660587 0.83 ALDH1A1 (0.53) NPC1RAB9AMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868188-A 4-(Benzisothiazol-3-yl)phenoxyacetic acid 1',1'-dioxides as diuretics HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-09-19 US disclosed
US-4728662-A DIURETICS, URICOSURICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-03-01 US disclosed
US-4673746-A DIURETICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1987-06-16 US disclosed
EP-0110169-A2 4-(Benzisothiazol-3-yl)phenoxyacetic-acid l',l'-dioxides, a process for preparing the same, intermediates thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-06-13 EP disclosed
US-4337261-A (1,2-Benzisoxazol)phenoxyacetic acids as diuretics HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-06-29 US disclosed
EP-0002666-B1 1,2-BENZISOXAZOLYLOXY (OR THIO) ACETIC ACIDS AND RELATED COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-17 EP disclosed
EP-0045078-A1 (1,2-Benzisoxazol)phenoxyacetic acids and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-02-03 EP disclosed
EP-0002666-A1 1,2-Benzisoxazolyloxy (or thio) acetic acids and related compounds, process for their preparation and medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-11 EP disclosed