SCHEMBL29048657

SCHEMBL29048657

CCc1ccc(-c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 6/20 0.49
GAA P10253 6/20 0.49
SI P14410 6/20 0.49
MGAM2 Q2M2H8 6/20 0.49
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MCL1 Q07820 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 1/20 0.39
MET P08581 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
APP P05067 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
RAD51 Q06609 1/20 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
SCHEMBL29048614 0.86 MGAM (0.49) MGAMGAASIMGAM2MAPT
SCHEMBL25813859 0.85 MEN1 (0.51) MGAMGAASIMGAM2MAPT
SCHEMBL11082722 0.85 MEN1 (0.51) MGAMGAASIMGAM2MAPT
SCHEMBL21670587 0.83 MCL1 (0.43) MGAMGAASIMGAM2MAPT
SCHEMBL29575861 0.82 MCL1 (0.54) MGAMGAASIMGAM2MAPT
SCHEMBL25460070 0.81 TAAR1 (0.41) MAPTKDM4EALDH1A1HPGDEGFR
SCHEMBL17735812 0.79 HCRTR2 (0.41) KDM4EALDH1A1EGFRNPC1RAB9A
SCHEMBL4239266 0.79 HCRTR2 (0.41) KDM4EALDH1A1EGFRNPC1RAB9A
SCHEMBL13152312 0.79 HCRTR2 (0.41) KDM4EALDH1A1EGFRNPC1RAB9A
SCHEMBL12799480 0.79 HCRTR2 (0.41) KDM4EALDH1A1EGFRNPC1RAB9A

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-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN disclosed