SCHEMBL6554075

SCHEMBL6554075

CC(=O)Oc1ccc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MEN1 O00255 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
NLRP3 Q96P20 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
SFRP1 Q8N474 1/20 0.37

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
SCHEMBL6554072 0.90 CA1 (0.40) KMT2ACA1CA2TSHRCA12
SCHEMBL6539542 0.89 TSHR (0.47) CA1CA2TSHRCA9LMNA
SCHEMBL6677005 0.88 TSHR (0.47) KMT2ACA1CA2MEN1TSHR
SCHEMBL6677713 0.87 CA1 (0.43) KMT2ACA1CA2MEN1CACNA1B
SCHEMBL6541242 0.86 CA1 (0.40) CA1CA2TSHRCA12CA9
SCHEMBL6540191 0.85 PTPN1 (0.47) KMT2AALDH1A1GAA
SCHEMBL6540407 0.83 CA1 (0.47) CA1CA2CA12CA9ALDH1A1
SCHEMBL6677132 0.83 HTT (0.42) ALDH1A1GAA
SCHEMBL6540265 0.81 NAMPT (0.46) CA1CA2TSHRCA12CA9
SCHEMBL6553983 0.81 KMT2A (0.43) KMT2AGAAPOLBMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed