Sugi Predict

Sugi Predict / Compounds / SCHEMBL2017811

SCHEMBL2017811

SCHEMBL2017811

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ CCR2 P41597 2/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ FKBP1A P62942 1/20 0.46
▸ BRD4 O60885 1/20 0.44
▸ MC4R P32245 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL12628167 1.00 ALDH1A1 (0.50) ALDH1A1CCR2KMT2AMEN1RAB9A
SCHEMBL2011504 0.91 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1RAB9AFKBP1A
SCHEMBL12628159 0.91 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1RAB9AFKBP1A
SCHEMBL12628174 0.90 KMT2A (0.58) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL2010853 0.90 KMT2A (0.58) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL2014762 0.89 KMT2A (0.56) CCR2KMT2ARAB9AP2RX7PKM
SCHEMBL12628160 0.89 KMT2A (0.56) CCR2KMT2ARAB9AP2RX7PKM
SCHEMBL2017637 0.88 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1RAB9APKM
SCHEMBL2013800 0.88 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1RAB9AFKBP1A
SCHEMBL12629084 0.88 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1RAB9APKM

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