SCHEMBL18166296

SCHEMBL18166296

Cc1ccc(-c2cc(OC(=O)NCc3cccnc3)cc(-n3nnnc3C(C)C)c2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
FAAH O00519 1/20 0.41
NAMPT P43490 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM1A O60341 1/20 0.38
HDAC1 Q13547 1/20 0.38
MMP13 P45452 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL18166455 0.91 FAAH (0.42) EPHX1FAAHALDH1A1POLBRECQL
SCHEMBL10244683 0.88 KDM1A (0.48) ALDH1A1NPSR1POLBUSP2MAPT
SCHEMBL18166460 0.86 AKR1C3 (0.38) ALDH1A1POLBUSP2CYP3A4CYP2C9
SCHEMBL18166367 0.85 MAOB (0.40) FAAHMAPTPKMHPGDNPC1
SCHEMBL18166274 0.84 P2RX3 (0.49) FAAH
SCHEMBL18166349 0.81 P2RX3 (0.48)
SCHEMBL18166380 0.81 P2RX3 (0.48)
SCHEMBL18036393 0.81 P2RX3 (0.43) FAAH
SCHEMBL18166394 0.80 ROCK1 (0.38) HSD17B10LMNACYP3A4CYP2C9
SCHEMBL18036425 0.80 P2RX3 (0.35) FAAH

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