SCHEMBL10693540

SCHEMBL10693540

CC(C)Oc1ccccc1C(=O)Nc1nnn[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.49
KCNK9 Q9NPC2 4/20 0.49
IRAK4 Q9NWZ3 1/20 0.48
RXFP1 Q9HBX9 4/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HTR2A P28223 1/20 0.44
TSPO P30536 1/20 0.44
GPR183 P32249 1/20 0.44
APLNR P35414 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.44
BRPF1 P55201 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL11111705 0.85 RAB9A (0.57) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL10690439 0.82 NPC1 (0.47) RXFP1NPC1RAB9AMEN1TP53
SCHEMBL9501813 0.79 HTT (0.45) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL2662445 0.78 ALPL (0.61) RXFP1NPC1RAB9APKMTP53
SCHEMBL9501827 0.78 POLB (0.40) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL11562864 0.77 KLKB1 (0.53) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL11110352 0.77 POLB (0.57) RXFP1NPC1RAB9AHSP90AA1PKM
SCHEMBL11105640 0.76 KDM4E (0.60) RXFP1NPC1RAB9AMEN1TP53
SCHEMBL10690551 0.76 ALPL (0.43) NPC1RAB9ABRPF1SMN1; SMN2CASP3
SCHEMBL10792558 0.76 KMT2A (0.43) RXFP1NPC1RAB9APKMMEN1

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
US-4764525-A N-1H-tetrazol-5-ylbenzamides having use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-16 US disclosed