SCHEMBL2010853

SCHEMBL2010853

O=C(NCc1ccc(F)cc1)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 7/20 0.53
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.52
GLA P06280 1/20 0.52
SLC13A5 Q86YT5 1/20 0.49
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 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
SCHEMBL12628174 1.00 KMT2A (0.58) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL12628961 0.96 KMT2A (0.53) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL2015653 0.96 KMT2A (0.55) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL12628292 0.96 KMT2A (0.55) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL2012438 0.96 KMT2A (0.53) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL12628159 0.92 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL2011504 0.92 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL2017811 0.90 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1RAB9A
SCHEMBL12628946 0.90 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1POLBTSHR
SCHEMBL12628167 0.90 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1RAB9A

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-2011073269-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO claimed