SCHEMBL2012438

SCHEMBL2012438

O=C(NCc1ccccc1)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccc(F)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 2/20 0.52
PKM P14618 2/20 0.50
FKBP1A P62942 1/20 0.49
ATM Q13315 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL12628961 1.00 KMT2A (0.53) KMT2AALDH1A1MEN1POLBTP53
SCHEMBL12628292 0.96 KMT2A (0.55) KMT2AALDH1A1MEN1POLBTP53
SCHEMBL2010853 0.96 KMT2A (0.58) KMT2AALDH1A1MEN1POLBTP53
SCHEMBL12628174 0.96 KMT2A (0.58) KMT2AALDH1A1MEN1POLBTP53
SCHEMBL2015653 0.96 KMT2A (0.55) KMT2AALDH1A1MEN1POLBTP53
SCHEMBL12628159 0.92 ALDH1A1 (0.54) KMT2AALDH1A1MEN1PKMFKBP1A
SCHEMBL2011504 0.92 ALDH1A1 (0.54) KMT2AALDH1A1MEN1PKMFKBP1A
SCHEMBL12628946 0.90 ALDH1A1 (0.51) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL2015115 0.90 ALDH1A1 (0.51) KMT2AALDH1A1MEN1POLBTSHR
SCHEMBL2011582 0.90 ALDH1A1 (0.60) KMT2AALDH1A1MEN1POLBFKBP1A

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