SCHEMBL8409259

SCHEMBL8409259

CSc1cccc(C(F)(F)F)c1S(=O)(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.36
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36
PTPN1 P18031 1/20 0.36
P2RX7 Q99572 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
AR P10275 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CES1 P23141 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC9A1 P19634 1/20 0.31

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
SCHEMBL8412577 0.82 SLC9A1 (0.38) CCR2STK10SLKPTPN1P2RX7
SCHEMBL8412574 0.82 CCR2 (0.36) CCR2STK10SLKPTPN1P2RX7
SCHEMBL9069065 0.82 TRPV4 (0.41) P2RX7MEN1KMT2ATRPV4CYP1A2
SCHEMBL8409006 0.77 MEN1 (0.42) P2RX7MEN1KMT2ATRPV4CYP1A2
SCHEMBL8409405 0.77 PKM (0.39) CCR2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8412670 0.77 STK10 (0.36) CCR2STK10SLKPTPN1P2RX7
SCHEMBL30586543 0.75 SLC22A12 (0.42) MEN1KMT2ATRPV4CYP1A2CYP3A4
SCHEMBL8412945 0.75 ALDH1A1 (0.38) CCR2MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL30605923 0.75 MCL1 (0.43) P2RX7MEN1KMT2ATRPV4SMN1; SMN2
SCHEMBL1501184 0.75 SLC22A12 (0.42) MEN1KMT2ATRPV4CYP1A2CYP3A4

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-0708087-B1 Method for making a substituted benzene compound ROHM & HAAS (US) 1999-07-28 EP disclosed
EP-0708087-A1 Method for making a substituted benzene compound ROHM AND HAAS COMPANY (US) 1996-04-24 EP disclosed