SCHEMBL4010263

SCHEMBL4010263

CCCOc1nc(-c2ccc(Cl)cc2)nc(CCC)c1OC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.41
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.39
ALOX5 P09917 1/20 0.38
MAPT P10636 3/20 0.38
CNR1 P21554 4/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL4014827 0.87 NAMPT (0.37) DHPSCYP1A2POLBRAB9AALOX5
SCHEMBL4014170 0.84 MAPT (0.43) DHPSCYP1A2POLBRAB9AMAPT
SCHEMBL8032185 0.83 LMNA (0.45) CYP1A2POLBRAB9AMAPTLMNA
SCHEMBL4007708 0.82 CYP1A2 (0.40) DHPSCYP1A2POLBRAB9AMAPT
SCHEMBL4011727 0.79 RAB9A (0.41) CYP1A2RAB9AMAPTALDH1A1LMNA
SCHEMBL8027468 0.79 DHODH (0.41) DHPSCYP1A2POLBRAB9AMAPT
SCHEMBL4011709 0.78 MAPT (0.41) DHPSCYP1A2POLBRAB9AMAPT
SCHEMBL8038397 0.74 TARBP2 (0.49) CYP1A2POLBRAB9AALOX5MAPT
SCHEMBL8021662 0.74 KDM4E (0.50) CYP1A2POLBRAB9AMAPTALDH1A1
SCHEMBL4010739 0.74 SIRT2 (0.45) RAB9AALOX5MAPTLMNATARBP2

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