SCHEMBL8538121

SCHEMBL8538121

NN(C(=O)CCc1cccnc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
MAPT P10636 6/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
C3AR1 Q16581 1/20 0.45
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TBXAS1 P24557 3/20 0.42

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
SCHEMBL9024286 0.79 C3AR1 (0.45) NAMPTMAPTALDH1A1HTTKDM4E
SCHEMBL4489396 0.79 NAMPT (0.54) NAMPTMAPTALDH1A1HTTKDM4E
SCHEMBL8541059 0.78 NPC1 (0.51) MAPTALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL24636716 0.76 MAPT (0.60) NAMPTMAPTALDH1A1HTTKDM4E
SCHEMBL11295721 0.76 MAPT (0.51) NAMPTMAPTALDH1A1HTTKDM4E
SCHEMBL11856687 0.75 GAA (0.53) NAMPTMAPTALDH1A1HTTKDM4E
SCHEMBL11618745 0.72 NAMPT (0.65) NAMPTMAPTALDH1A1HTTKDM4E
SCHEMBL6716687 0.72 CRHBP (0.61) NAMPTMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL27300824 0.71 MAPT (0.54) MAPTALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL10881254 0.71 SMN1; SMN2 (0.44) NAMPTMAPTHTTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP disclosed
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US disclosed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO disclosed