SCHEMBL4014101

SCHEMBL4014101

CCOC(=O)Oc1c(OCC2CC2)nc(-c2ccc(Cl)cc2)nc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR1 P21554 9/20 0.38
CNR2 P34972 9/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 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
SCHEMBL4009317 0.88 CNR1 (0.40) ALDH1A1MAPTCNR1CNR2CYP1A2
SCHEMBL4007963 0.88 CNR1 (0.42) CNR1CNR2
SCHEMBL4014170 0.86 MAPT (0.43) ALDH1A1LMNAMAPTTDP1CYP1A2
SCHEMBL4010115 0.85 MAPT (0.39) ALDH1A1LMNAMAPTTDP1CNR1
SCHEMBL4007693 0.84 CNR1 (0.42) ALDH1A1LMNACNR1CNR2CYP1A2
SCHEMBL8021652 0.84 CYP1A2 (0.42) ALDH1A1LMNAMAPTTDP1CNR1
SCHEMBL4010260 0.84 ATM (0.45) ALDH1A1LMNAMAPTTDP1CYP1A2
SCHEMBL4008643 0.81 MAPT (0.46) ALDH1A1LMNAMAPTTDP1CYP1A2
SCHEMBL4007961 0.80 CNR1 (0.43) CNR1CNR2
SCHEMBL4008512 0.78 MAPT (0.42) ALDH1A1LMNAMAPTTDP1CYP1A2

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