SCHEMBL19403145

SCHEMBL19403145

CCCCC(=N)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.57
POLB P06746 2/20 0.55
FAAH O00519 2/20 0.52
HPGD P15428 4/20 0.50
ALOX12 P18054 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 3/20 0.49
ALPL P05186 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL11588966 0.93 EPHX2 (0.67) EPHX2POLBFAAHHPGDALDH1A1
SCHEMBL11590006 0.93 EPHX2 (0.67) EPHX2POLBFAAHHPGDALDH1A1
Hydrochloric Acid SCHEMBL5766130 0.87 CYP3A4 (0.54) EPHX2POLBHPGDALOX12ALDH1A1
SCHEMBL6269552 0.84 CNR1 (0.52) EPHX2POLBHPGDALOX12ALDH1A1
SCHEMBL24539875 0.83 TPSAB1 (0.51) EPHX2POLBFAAHHPGDALDH1A1
SCHEMBL8260763 0.83 CYP1A2 (0.50) EPHX2POLBHPGDALDH1A1CNR1
SCHEMBL7092116 0.82 KMT2A (0.57) EPHX2HPGDALDH1A1MEN1KMT2A
SCHEMBL18989620 0.81 HPGD (0.55) EPHX2POLBHPGDCYP2C19L3MBTL1
SCHEMBL3376541 0.80 EPHX2 (0.58) EPHX2POLBFAAHHPGDALOX12
Hydrochloric Acid SCHEMBL16372135 0.79 ALOX12 (0.50) EPHX2POLBHPGDALOX12ALDH1A1

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-2017165640-A1 6-HYDROXY-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBOXAMIDES AS APJ AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-28 WO disclosed