SCHEMBL1728219

SCHEMBL1728219

O=C(Nc1ccc(F)cn1)c1ccc(S(=O)(=O)C2CCc3ccccc3N2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.49
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ CXCR2 P25025 5/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ F10 P00742 1/20 0.42
▸ HCAR3 P49019 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL1726674 0.80 NPC1 (0.52) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL1727755 0.79 NAMPT (0.53) NAMPTRAB9AKDM4EHTTKMT2A
SCHEMBL1728014 0.79 NPC1 (0.45) NAMPTRAB9ANPC1HTTKMT2A
SCHEMBL1727677 0.79 NAMPT (0.55) NAMPTRAB9ANPC1KDM4EKMT2A
SCHEMBL1728035 0.78 RAB9A (0.52) RAB9ANPC1KMT2AMEN1
SCHEMBL1727944 0.78 LRRK2 (0.59) RAB9ANPC1KDM4EHTTKMT2A
SCHEMBL1727761 0.77 KMT2A (0.41) NAMPTKDM4EKMT2AMEN1POLB
SCHEMBL1728187 0.77 ALDH1A1 (0.53) RAB9ANPC1KDM4EHTTKMT2A
SCHEMBL1727814 0.76 AKR1C3 (0.46) CYP1A2KMT2AMEN1
SCHEMBL1727700 0.76 KMT2A (0.50) RAB9ANPC1HTTKMT2AMEN1

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-2403499-A2 METHODS AND COMPOSITIONS USEFUL IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL Stemsynergy Therapeutics, Inc (US) 2012-01-11 — — EP disclosed
WO-2010101964-A2 METHODS AND COMPOSITIONS USEFUL IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS, INC (US) 2010-09-10 — — WO disclosed
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