SCHEMBL8524757

SCHEMBL8524757

Cc1ccc(Nc2cc(Nc3ccc(C)cc3)nc(N(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
GBA1 P04062 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
G6PD P11413 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL2411151 0.83 TAAR1 (0.58) MEN1KMT2AMAPTLMNATP53
SCHEMBL3243396 0.81 NUDT1 (0.58) MEN1KMT2AMAPTLMNATP53
SCHEMBL29609269 0.81 NUDT1 (0.58) MEN1KMT2AMAPTLMNATP53
SCHEMBL2412835 0.77 MAPT (0.47) MEN1KMT2AMAPTLMNATP53
SCHEMBL3241384 0.77 MAPT (0.40) MEN1KMT2AMAPTLMNATP53
SCHEMBL3247948 0.75 TAAR1 (0.56) MAPTLMNATP53POLBNPC1
SCHEMBL2409626 0.74 SLC2A1 (0.56) MEN1KMT2AMAPTLMNATP53
SCHEMBL4415371 0.74 APP (0.50) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL8253278 0.73 MAPT (0.74) MEN1KMT2AMAPTLMNATP53
SCHEMBL3246140 0.72 MAPT (0.58) MEN1KMT2AMAPTLMNATP53

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
EP-0945443-A1 HIV inhibiting pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1999-09-29 EP disclosed