SCHEMBL20918168

SCHEMBL20918168

Cn1c(-c2c[nH]c3ccccc23)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
NPC1 O15118 7/20 0.55
PKM P14618 4/20 0.55
TP53 P04637 3/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 9/20 0.54
MAPT P10636 6/20 0.54
LMNA P02545 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
KDM4E B2RXH2 5/20 0.52
GAA P10253 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HPGD P15428 2/20 0.52

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
SCHEMBL16692197 0.79 MEN1 (0.57) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL20068244 0.75 PDGFRB (0.53) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL1171430 0.75 MEN1 (0.69) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL22717643 0.74 RAB9A (0.63) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL31325644 0.74 RAB9A (0.63) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL14077060 0.74 RAB9A (0.64) RAB9ASMN1; SMN2NPC1PKMMAPK1
SCHEMBL9611813 0.73 KDM4E (0.50) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL10496277 0.73 MGAM (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL12648806 0.73 MEN1 (0.57) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL16692191 0.73 KDM4E (0.64) RAB9ASMN1; SMN2NPC1PKMTP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3698805-A1 FRACTION OFZANTHOXYLUM PIPERITUM Mecox Curemed Co., Ltd. (KR) 2020-08-26 EP disclosed
WO-2019078386-A1 FRACTION OF ZANTHOXYLUM PIPERITUM LEAF EXTRACT, EFFECTIVE FOR PAIN RELIEF 메콕스큐어메드 주식회사 2019-04-25 WO disclosed