SCHEMBL9966063

SCHEMBL9966063

O=C(NC[C@@H]1CCCO1)c1ccc(-c2cc(C(F)(F)F)n(CF)n2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
MEN1 O00255 4/20 0.53
HPGD P15428 5/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL9966057 1.00 KMT2A (0.53) KMT2AMEN1HPGDTSHRHSD17B10
SCHEMBL1593734 0.88 ALDH1A1 (0.53) KMT2AMEN1HPGDTSHRHSD17B10
SCHEMBL1593723 0.88 ALDH1A1 (0.53) KMT2AMEN1HPGDTSHRHSD17B10
SCHEMBL1594713 0.88 ALDH1A1 (0.53) KMT2AMEN1HPGDTSHRHSD17B10
SCHEMBL9966093 0.81 KMT2A (0.42) KMT2AMEN1HPGDTSHRHSD17B10
SCHEMBL14412293 0.77 CHRNB2 (0.43) KMT2AMEN1HTTKDM4ERAB9A
SCHEMBL14412549 0.76 ALDH1A1 (0.47) KMT2AMEN1HPGDTSHRHSD17B10
SCHEMBL14412372 0.75 ALDH1A1 (0.42) KDM4ERAB9AALDH1A1
SCHEMBL9966059 0.74 NPC1 (0.48) KMT2AMEN1HPGDTSHRHSD17B10
SCHEMBL14412418 0.74 ALDH1A1 (0.50) KMT2AMEN1HPGDTSHRHSD17B10

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-2465850-A1 THERAPEUTIC COMPOUNDS Helicon Therapeutics, Inc. (US) 2012-06-20 EP disclosed
WO-2007100851-A1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2007-09-07 WO disclosed