SCHEMBL18166332

SCHEMBL18166332

CCc1nnnn1-c1cc(OC(=O)NCc2cccnc2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
P2RX3 P56373 1/20 0.51
P2RX2 Q9UBL9 1/20 0.51
TP53 P04637 3/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
NAMPT P43490 1/20 0.43
ACHE P22303 1/20 0.41

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
SCHEMBL18166392 0.90 P2RX3 (0.50) EPHX1P2RX3P2RX2LMNAMMP13
SCHEMBL18166435 0.89 P2RX3 (0.48) EPHX1P2RX3P2RX2LMNAMAPT
SCHEMBL18166323 0.86 P2RX3 (0.47) EPHX1P2RX3P2RX2LMNANPSR1
SCHEMBL18166398 0.86 P2RX3 (0.57) EPHX1P2RX3P2RX2NPC1RAB9A
SCHEMBL10244677 0.86 P2RX3 (0.63) P2RX3P2RX2TP53POLBNPC1
SCHEMBL18166397 0.85 P2RX3 (0.46) EPHX1P2RX3P2RX2LMNAMAPT
SCHEMBL18166399 0.84 P2RX3 (0.46) EPHX1P2RX3P2RX2LMNAALDH1A1
SCHEMBL18166335 0.84 P2RX3 (0.59) P2RX3P2RX2TP53POLBLMNA
SCHEMBL18166272 0.84 P2RX3 (0.47) EPHX1P2RX3P2RX2LMNAMAPT
SCHEMBL18166378 0.84 P2RX3 (0.48) P2RX3P2RX2TP53POLBNPC1

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
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed