SCHEMBL4014827

SCHEMBL4014827

CCCc1nc(-c2ccc(Cl)cc2)nc(OCC2(C)CC2)c1OC(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.37
CYP1A2 P05177 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 5/20 0.36
LMNA P02545 3/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX5 P09917 1/20 0.35
DHPS P49366 1/20 0.35
ADORA3 P0DMS8 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
SCN5A Q14524 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
SCHEMBL4010263 0.87 DHPS (0.41) NAMPTCYP1A2POLBMAPTLMNA
SCHEMBL8034254 0.85 LMNA (0.42) NAMPTCYP1A2POLBMAPTLMNA
SCHEMBL8032814 0.82 NAMPT (0.39) NAMPTCYP1A2POLBMAPTRAB9A
SCHEMBL4007708 0.78 CYP1A2 (0.40) NAMPTCYP1A2POLBMAPTRAB9A
SCHEMBL4008882 0.78 KCNH2 (0.39) CYP1A2POLBMAPTRAB9AALDH1A1
SCHEMBL8037293 0.77 LMNA (0.49) CYP1A2POLBMAPTLMNARAB9A
SCHEMBL4011727 0.75 RAB9A (0.41) CYP1A2MAPTLMNARAB9AALDH1A1
SCHEMBL4014170 0.74 MAPT (0.43) CYP1A2POLBMAPTLMNARAB9A
SCHEMBL4008878 0.73 KDM4E (0.45) CYP1A2POLBLMNARAB9AALDH1A1
SCHEMBL4009317 0.72 CNR1 (0.40) CYP1A2POLBMAPTRAB9AALDH1A1

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-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed