SCHEMBL10658396

SCHEMBL10658396

COc1ccc(C(=O)c2ccc(Cl)cc2F)c(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.49
KCNMA1 Q12791 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
GAA P10253 1/20 0.42
KLF5 Q13887 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10657662 0.88 MAPK14 (0.48) LMNAMAPTRAB9ANPC1HPGD
SCHEMBL11386183 0.84 MAPT (0.46) KCNMA1ALDH1A1LMNAPOLBMAPT
SCHEMBL10567455 0.84 SMN1; SMN2 (0.54) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL16527374 0.83 POLB (0.66) CXCL12ALDH1A1KMT2AMEN1LMNA
SCHEMBL10661348 0.81 MAPT (0.47) KMT2AMEN1LMNAMAPTRAB9A
SCHEMBL27442149 0.80 SMN1; SMN2 (0.48) ALDH1A1KMT2ALMNAMAPTRAB9A
SCHEMBL10664945 0.80 CXCL12 (0.42) CXCL12KCNMA1ALDH1A1KMT2AMEN1
SCHEMBL10660567 0.78 POLB (0.46) ALDH1A1KMT2APOLBMAPTRAB9A
SCHEMBL5990108 0.77 NPC1 (0.53) KCNMA1ALDH1A1KMT2AMEN1LMNA
SCHEMBL10659625 0.76 MAPT (0.51) ALDH1A1KMT2ALMNAPOLBMAPT

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
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-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-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