SCHEMBL7800076

SCHEMBL7800076

Cc1cccc(CNC(=O)NC([C]=O)C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 2/20 0.42
TGFBR1 P36897 1/20 0.40
ADORA2A P29274 3/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KMT2A Q03164 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
NPC1 O15118 1/20 0.36
BACE1 P56817 1/20 0.36
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7307834 0.81 MAPK1 (0.53) NPSR1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL7307826 0.81 MAPK1 (0.53) NPSR1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL7800072 0.81 NPC1 (0.55) RAB9ASMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL7800068 0.81 NPC1 (0.55) RAB9ASMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL7208269 0.75 MAPT (0.58) MAPK1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20667281 0.75 NPSR1 (0.53) NPSR1MAPK1ADORA2AADORA3ADORA2B
SCHEMBL13734815 0.74 NPSR1 (0.59) NPSR1MAPK1ADORA2AADORA3ADORA2B
SCHEMBL4664171 0.73 NPSR1 (0.79) NPSR1MAPK1ADORA2AADORA3ADORA2B
SCHEMBL19116464 0.72 SMN1; SMN2 (0.50) NPSR1MAPK1ADORA2AADORA3ADORA2B
SCHEMBL4893933 0.71 NPSR1 (0.49) NPSR1MAPK1ADORA2AADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5994558-A 2-isoxazoline derivative and process for producing the same; and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed