SCHEMBL8228252

SCHEMBL8228252

COc1cccc(Nc2cccc(NC(=N)NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 6/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
ALDH1A1 P00352 2/20 0.49
NLRP3 Q96P20 1/20 0.49
PKM P14618 1/20 0.49
MTNR1B P49286 2/20 0.48
MTNR1A P48039 1/20 0.48
CXCR6 O00574 1/20 0.48

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
SCHEMBL8221492 0.90 SMO (0.64) SMONPC1RAB9AKMT2ATP53
SCHEMBL8224616 0.87 SMO (0.65) SMONPC1RAB9AKMT2ATP53
SCHEMBL15492214 0.84 KCNK3 (0.57) SMONPC1RAB9AKMT2ATP53
SCHEMBL8219590 0.84 SMO (0.79) SMOKMT2AMEN1POLB
SCHEMBL11911362 0.83 SMO (0.60) SMOKMT2AMEN1POLBRXFP1
SCHEMBL8211832 0.82 SMO (0.62) SMONPC1RAB9AKMT2AMEN1
SCHEMBL8224661 0.81 SMO (0.64) SMOKMT2ASMN1; SMN2MEN1POLB
SCHEMBL8224548 0.81 SMO (0.78) SMOKMT2AMEN1POLB
SCHEMBL8211867 0.81 SMO (0.77) SMOKMT2AMEN1POLB
SCHEMBL8234990 0.80 SMO (0.61) SMONPC1RAB9AKMT2ASMN1; SMN2

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-2456754-A1 ACYL GUANIDINE DERIVATIVES MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY Universite De Strasbourg (FR) 2012-05-30 EP claimed
WO-2011010013-A1 ACYL GUANIDINE DERIVATIVES MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-01-27 WO claimed