SCHEMBL8478772

SCHEMBL8478772

CCCc1[c]nc(C)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
CHEK1 O14757 1/20 0.36
AKT2 P31751 1/20 0.36
BRD2 P25440 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GCGR P47871 2/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL8474965 0.87 ALDH1A1 (0.37) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8479260 0.86 TP53 (0.41) BRD4CHEK1AKT2BRD2KDM4E
SCHEMBL8475512 0.85 BRD4 (0.35) BRD4CHEK1AKT2BRD2KDM4E
SCHEMBL8474820 0.82 DHFR (0.41) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8478757 0.81 MAPT (0.44) MAPTNPC1RAB9AGAADCTPP1
SCHEMBL8477183 0.80 MAPT (0.36) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8475027 0.74 BRD4 (0.42) BRD4CHEK1AKT2BRD2KDM4E
SCHEMBL8480559 0.70 GCGR (0.42) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8474990 0.69 DHFR (0.44) BRD4CHEK1AKT2BRD2KDM4E
SCHEMBL8474308 0.68 POLB (0.43) HPGDSMN1; SMN2NPC1RAB9AGAA

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
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed