SCHEMBL21187145

SCHEMBL21187145

COc1ccc(C2CCC(NC(=N)Nc3ccc(C#N)cc3)CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.39
FPR1 P21462 2/20 0.39
KDM1A O60341 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MCL1 Q07820 1/20 0.39
EPHX1 P07099 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CHEK1 O14757 1/20 0.37
EPHX2 P34913 3/20 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
SCHEMBL21187220 0.85 FPR2 (0.38) FPR2FPR1KDM1AMEN1KMT2A
SCHEMBL21187147 0.82 EPHX1 (0.45) FPR2FPR1EPHX1ALDH1A1EPHX2
SCHEMBL21187146 0.79 SMN1; SMN2 (0.41) FPR2FPR1MEN1KMT2AALDH1A1
SCHEMBL21187132 0.73 MAOA (0.48) FPR2FPR1KMT2AEPHX1ALDH1A1
SCHEMBL21101398 0.72 KDM1A (0.62) KDM1AKMT2A
SCHEMBL20347003 0.72 KDM4E (0.46) KDM1AKCNH2CHEK1
SCHEMBL21187130 0.72 SMN1; SMN2 (0.39) FPR2FPR1KDM1AMEN1KMT2A
SCHEMBL21187199 0.69 FPR1 (0.47) FPR2FPR1MEN1KMT2AEPHX1
SCHEMBL21187195 0.68 NPC1 (0.51) MEN1KMT2AEPHX1ALDH1A1MAPT
SCHEMBL21187119 0.68 NPC1 (0.51) MEN1KMT2AEPHX1ALDH1A1MAPT

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