SCHEMBL21187148

SCHEMBL21187148

COc1ccc(N/C(=N\I)NC2CCC(c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KMT2A Q03164 1/20 0.44
FPR2 P25090 3/20 0.44
FPR1 P21462 1/20 0.43
EPHX2 P34913 7/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 1/20 0.43
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL21187213 0.88 NPC1 (0.48) KMT2AEPHX2MAPTNPC1RAB9A
SCHEMBL21187135 0.87 EPHX2 (0.40) KMT2AEPHX2MAPTNPC1RAB9A
SCHEMBL21187151 0.86 EPHX2 (0.42) KMT2AFPR2FPR1EPHX2MAPT
SCHEMBL21187183 0.85 RAB9A (0.46) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL21187143 0.85 RAB9A (0.46) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL21187132 0.82 MAOA (0.48) MAOAMAOBKMT2AFPR2FPR1
SCHEMBL21187136 0.78 SMN1; SMN2 (0.40) KMT2AFPR2FPR1EPHX2MAPT
SCHEMBL21187130 0.77 SMN1; SMN2 (0.39) KMT2AFPR2FPR1EPHX2MAPT
SCHEMBL21177092 0.73 NPC1 (0.45) KMT2AEPHX2MAPTNPC1RAB9A
SCHEMBL20838628 0.72 EPHX2 (0.65) MAOAMAOBKMT2AFPR2EPHX2

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