SCHEMBL29518293

SCHEMBL29518293

O=C(Nc1ccc(F)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.62
ALDH1A1 P00352 2/20 0.60
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
KDM4E B2RXH2 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
TP53 P04637 1/20 0.59
PKM P14618 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HPSE Q9Y251 2/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 4/20 0.54
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL28372959 1.00 FAAH (0.62) FAAHALDH1A1NPC1RAB9AKDM4E
SCHEMBL4437426 0.88 MMP2 (0.58) FAAHNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9816236 0.87 FAAH (0.61) FAAHALDH1A1NPC1RAB9AKDM4E
SCHEMBL28372986 0.86 RAB9A (0.71) FAAHALDH1A1NPC1RAB9AKDM4E
SCHEMBL29518554 0.85 LMNA (0.64) FAAHNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL28372909 0.85 LMNA (0.64) FAAHNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9670630 0.84 ROCK2 (0.55) FAAHNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL30912944 0.83 MTOR (0.49) FAAHNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL29086673 0.83 MTOR (0.49) FAAHNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL15654494 0.82 HDAC1 (0.57) NPC1RAB9AKDM4ESMN1; SMN2TP53

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
CN-110965064-B Application of alkylamide benzimidazole compound, organic weldable protective agent, preparation method, use method and application thereof 深圳市贝加电子材料有限公司 2022-04-29 CN disclosed