SCHEMBL10396347

SCHEMBL10396347

N#CCc1cccc(C(=O)c2ccccc2)c1N

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ABCB11 O95342 1/20 0.52
PTGS1 P23219 1/20 0.52
ADORA1 P30542 1/20 0.52
PTGS2 P35354 1/20 0.52
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1C3 P42330 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
SCHEMBL10396436 0.87 LMNA (0.49) LMNAABCB11PTGS1ADORA1PTGS2
SCHEMBL10396640 0.87 ABCB11 (0.67) LMNAABCB11PTGS1ADORA1PTGS2
SCHEMBL10396901 0.87 ABCB11 (0.49) LMNAABCB11PTGS1ADORA1PTGS2
SCHEMBL10395929 0.87 ABCB11 (0.49) LMNAABCB11PTGS1ADORA1PTGS2
SCHEMBL6751472 0.85 ALDH1A1 (0.51) LMNAMAPTGAAMEN1ALDH1A1
SCHEMBL28864463 0.84 ALDH1A1 (0.50) LMNAMAPTGAAMEN1ALDH1A1
SCHEMBL10395887 0.84 NPC1 (0.50) LMNAABCB11PTGS1ADORA1PTGS2
Amfenac SCHEMBL9998546 0.81 ABCB11 (0.76) LMNAABCB11PTGS1ADORA1PTGS2
SCHEMBL10397136 0.81 ABCB11 (0.57) LMNAABCB11PTGS1ADORA1PTGS2
SCHEMBL16979055 0.81 ABCB11 (0.57) LMNAABCB11PTGS1ADORA1PTGS2

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
US-4898874-A Acetic acid derivatives of 3-aryl-2,1-benzisoxazole and esters and amides thereof A. H. ROBINS COMPANY, INC. (US) 1990-02-06 US disclosed
EP-0260924-A1 Antiinflammatory derivatives of 3-aryl-2,1-benzisoxazole A.H. ROBINS COMPANY, INCORPORATED (US) 1988-03-23 EP disclosed