SCHEMBL3917344

SCHEMBL3917344

O=C(NCC1CC(c2ccc(NCCO)cc2)=NO1)Oc1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 2/20 0.39
MIF P14174 10/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
F2 P00734 1/20 0.37
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3912792 0.86 MIF (0.39) RAB9ANPC1SMN1; SMN2MIFHDAC6
SCHEMBL3912693 0.85 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2MIFHDAC6
SCHEMBL1002341 0.85 F10 (0.54) F10F2
SCHEMBL3990603 0.77 F10 (0.43) RAB9ANPC1SMN1; SMN2F10MIF
SCHEMBL1004839 0.73 F10 (0.44) RAB9ANPC1SMN1; SMN2F10MIF
SCHEMBL1096632 0.72 F10 (0.43) F10MIFMEN1KMT2A
SCHEMBL1096553 0.72 F10 (0.47) F10MEN1KMT2A
SCHEMBL3233576 0.71 F10 (0.38) RAB9ANPC1SMN1; SMN2F10F2
SCHEMBL1096474 0.71 NPC1 (0.52) RAB9ANPC1F10MEN1CYP1A2
SCHEMBL1096261 0.70 F10 (0.50) F10F2MEN1CYP1A2CYP2C19

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-2032567-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-11 EP disclosed
WO-2007137792-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed