SCHEMBL21187135

SCHEMBL21187135

COc1ccc(N/C(=N\I)NC2CCC(c3cccc(F)c3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
EPHX1 P07099 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
MAPK14 Q16539 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
PAX8 Q06710 1/20 0.38
F10 P00742 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL21187148 0.87 MAOA (0.45) EPHX2NPC1RAB9AEPHX1KMT2A
SCHEMBL21187213 0.87 NPC1 (0.48) EPHX2NPC1RAB9AEPHX1MAPK14
SCHEMBL21187183 0.79 RAB9A (0.46) NPC1RAB9AL3MBTL1POLBMAPT
SCHEMBL21187143 0.79 RAB9A (0.46) NPC1RAB9AL3MBTL1POLBMAPT
SCHEMBL21187151 0.78 EPHX2 (0.42) EPHX2NPC1RAB9AEPHX1KMT2A
SCHEMBL21187136 0.76 SMN1; SMN2 (0.40) EPHX2L3MBTL1KMT2APOLBMAPT
SCHEMBL21187095 0.76 KMT2A (0.41) TRPV1KMT2APOLBMEN1DPP4
SCHEMBL21187130 0.76 SMN1; SMN2 (0.39) EPHX2L3MBTL1KMT2AMAPTSMN1; SMN2
SCHEMBL21177092 0.72 NPC1 (0.45) EPHX2NPC1RAB9AEPHX1L3MBTL1
SCHEMBL21177091 0.72 NPC1 (0.45) EPHX2NPC1RAB9AEPHX1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019141095-A1 AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-07-25 WO disclosed