SCHEMBL30847375

SCHEMBL30847375

CC(C)n1cnc2cc(Br)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.58
RAB9A P51151 8/20 0.49
NPC1 O15118 7/20 0.49
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GFER P55789 2/20 0.46
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.41
IDE P14735 1/20 0.41
GLP1R P43220 1/20 0.41
PDE4B Q07343 1/20 0.41
SIK1 P57059 2/20 0.40
SIK2 Q9H0K1 2/20 0.40
SIK3 Q9Y2K2 2/20 0.40
MEN1 O00255 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
SCHEMBL7726925 1.00 HCAR3 (0.58) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL19836338 0.86 GLP1R (0.53) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL29612495 0.86 GLP1R (0.53) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL18009914 0.82 HCAR3 (0.40) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL11396992 0.80 RAB9A (0.61) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL29037722 0.79 HCAR3 (0.38) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL7721135 0.79 HCAR3 (0.58) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL20665086 0.79 HCAR3 (0.58) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL12730480 0.79 HCAR3 (0.62) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL30914208 0.79 HCAR3 (0.58) HCAR3RAB9ANPC1KDM4ESMN1; SMN2

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-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed