SCHEMBL29414653

SCHEMBL29414653

Nc1ccccc1Nc1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
GAA P10253 5/20 0.63
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
RAB9A P51151 3/20 0.63
KDM4E B2RXH2 5/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
TP53 P04637 2/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
APP P05067 1/20 0.53
HPGD P15428 1/20 0.53
SNCA P37840 1/20 0.53
BLM P54132 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
SCHEMBL4716263 1.00 MAPT (0.63) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL7166997 0.86 MAPT (0.75) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2508110 0.85 ALDH1A1 (0.46) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2508112 0.85 MAPT (0.61) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL7389020 0.81 MAPT (0.67) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL7171246 0.81 MAPT (0.67) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL26691176 0.81 ABCG2 (0.49) MAPTGAASMN1; SMN2RAB9AKDM4E
SCHEMBL4719017 0.80 P2RY4 (0.45) MAPTGAAALDH1A1SMN1; SMN2RAB9A
Methane SCHEMBL28002260 0.79 MAPT (0.64) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL1336714 0.79 MAPT (0.70) MAPTGAAALDH1A1SMN1; SMN2RAB9A

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-111747933-B Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2022-03-01 CN disclosed