SCHEMBL8475512

SCHEMBL8475512

Cc1n[c]c(CCO)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.35
CHEK1 O14757 1/20 0.35
AKT2 P31751 1/20 0.35
BRD2 P25440 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GCGR P47871 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
TDO2 P48775 1/20 0.33
MAPK1 P28482 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL8478772 0.85 BRD4 (0.36) BRD4CHEK1AKT2BRD2SMN1; SMN2
SCHEMBL8479260 0.81 TP53 (0.41) BRD4CHEK1AKT2BRD2SMN1; SMN2
SCHEMBL8480559 0.81 GCGR (0.42) SMN1; SMN2MAPTALDH1A1GAAHPGD
SCHEMBL8480049 0.80 PDE4B (0.36) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL8475027 0.73 BRD4 (0.42) BRD4CHEK1AKT2BRD2SMN1; SMN2
SCHEMBL8480104 0.71 HEXA (0.40) ALDH1A1KDM4ENPC1RAB9AGCGR
SCHEMBL8478757 0.68 MAPT (0.44) MAPTGAANPC1RAB9APOLB
SCHEMBL8477304 0.68 PDCD1 (0.38) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL8474820 0.68 DHFR (0.41) SMN1; SMN2MAPTALDH1A1GAAHPGD
SCHEMBL8474276 0.68 TDP1 (0.34) ALDH1A1GAAHPGDGCGRTDP1

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