SCHEMBL6495701

SCHEMBL6495701

Cc1cc(-c2noc(-c3ccc(Cl)cc3)n2)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.63
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
TP53 P04637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
CASP3 P42574 3/20 0.49
S1PR1 P21453 4/20 0.48
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL27467205 0.88 NR1H4 (0.63) NR1H4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27832067 0.79 NPC1 (0.55) NR1H4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27001834 0.78 NR1H4 (0.70) NR1H4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29936603 0.77 NPC1 (0.63) NR1H4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6490110 0.77 RAB9A (0.70) NR1H4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12581664 0.76 GPR55 (0.63) NR1H4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12101816 0.75 CYP3A4 (0.74) NPC1RAB9ASMN1; SMN2MEN1CYP1A2
SCHEMBL6495190 0.74 NR1H4 (0.52) NR1H4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6495191 0.74 NR1H4 (0.52) NR1H4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2888002 0.73 HDAC4 (0.50) ALDH1A1S1PR1CYP3A4TSHRTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6893650-B1 N2-phenylamidine derivatives BAYER CROPSCIENCE GMBH (DE) 2005-05-17 US disclosed
EP-1150944-B1 N2-PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2003-08-20 EP disclosed
EP-1150944-A1 N2-PHENYLAMIDINE DERIVATIVES Aventis CropScience GmbH (DE) 2001-11-07 EP disclosed
WO-2000046184-A1 N2-PHENYLAMIDINE DERIVATIVES AVENTIS CROPSCIENCE GMBH (FR) 2000-08-10 WO disclosed