SCHEMBL9627265

SCHEMBL9627265

N#Cc1cccc(ONC(=O)N2CCCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.50
DPP7 Q9UHL4 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.44
CYP2D6 P10635 2/20 0.44
HSD17B10 Q99714 1/20 0.44
USP2 O75604 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.44
HIF1A Q16665 1/20 0.43

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
SCHEMBL19028138 0.77 MGLL (0.57) MGLLTSHRCYP2D6USP2CYP3A4
SCHEMBL9627253 0.75 LMNA (0.54) NPC1RAB9AHTTCYP2D6CYP2C19
SCHEMBL4611641 0.75 HIF1A (0.69) RAB9ATSHRCYP2D6HSD17B10USP2
SCHEMBL9627863 0.72 MGLL (0.45) MGLLHTTCYP2D6USP2CYP3A4
SCHEMBL5003118 0.72 HIF1A (0.69) TSHRCYP2D6HSD17B10USP2CYP3A4
SCHEMBL3634940 0.72 HPGD (0.60) NPC1RAB9AHTTCYP2D6USP2
SCHEMBL3169203 0.71 MGLL (0.46) MGLL
SCHEMBL9674597 0.70 MAPT (0.57) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL8132365 0.69 NLRP3 (0.60) DPP7CYP2D6HSD17B10CYP3A4CYP2C9
SCHEMBL8127758 0.69 DPP7 (0.54) DPP7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112385-A Useful in rice paddies KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-05-12 US disclosed
EP-0268688-B1 SUBSTITUTED ARYLOXYUREAS, PROCESS FOR THEIR PREPARATION, AND THEIR USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-04 EP disclosed
US-4968341-A PRE-AND POSTEMERGENCE HERBICIDES KUMIAI CHEMICAL INDUSTRY CO. (JP) 1990-11-06 US disclosed
EP-0268688-A1 SUBSTITUTED ARYLOXYUREAS, PROCESS FOR THEIR PREPARATION, AND THEIR USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-06-01 EP disclosed