SCHEMBL7877642

SCHEMBL7877642

Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.58
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
BRD4 O60885 1/20 0.56
ACLY P53396 3/20 0.55
KMT2A Q03164 1/20 0.53
CCR2 P41597 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
THRB P10828 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.50
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL12459539 0.88 TSHR (0.54) MCL1TSHRHSD17B10BRD4ACLY
SCHEMBL12027616 0.79 HTT (0.68) TSHRHSD17B10ACLYKMT2ACCR2
SCHEMBL25244870 0.78 MEN1 (0.77) MCL1HSD17B10BRD4KMT2ARXFP1
SCHEMBL12655168 0.77 LMNA (0.58) TSHRHSD17B10ACLYKMT2ATHRB
SCHEMBL21135363 0.77 KMT2A (0.56) TSHRHSD17B10ACLYKMT2ACCR2
SCHEMBL6717132 0.77 ACLY (0.54) TSHRHSD17B10BRD4ACLYCCR2
SCHEMBL18359166 0.76 RXFP1 (0.50) MCL1TSHRBRD4KMT2ARXFP1
SCHEMBL15881204 0.76 CA1 (0.50) MCL1TSHRHSD17B10BRD4KMT2A
SCHEMBL7591598 0.76 CCR2 (0.62) MCL1ACLYCCR2POLB
SCHEMBL10626704 0.75 PTGS2 (0.56) TSHRHSD17B10ACLYKMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed