SCHEMBL9538328

SCHEMBL9538328

CCC(=O)N1CCC(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
MAPT P10636 2/20 0.45
DRD4 P21917 1/20 0.44
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
CASP4 P49662 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
DRD2 P14416 1/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5254558 0.86 LMNA (0.46) ALDH1A1MAPTCASP1CASP3CASP4
SCHEMBL9540984 0.80 CYP11B1 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL9540553 0.80 MAPT (0.47) MAPTDRD4SMN1; SMN2DRD2POLB
SCHEMBL11136938 0.79 NOTUM (0.47) ALDH1A1SMN1; SMN2POLBCYP3A4HPGD
SCHEMBL9537029 0.79 CYP11B1 (0.43) ALDH1A1MAPTCASP1CASP7SMN1; SMN2
SCHEMBL9535907 0.79 NOTUM (0.47) MAPTDRD4DRD2HTTPOLB
SCHEMBL9537960 0.77 TP53 (0.51) ALDH1A1MAPTSMN1; SMN2LMNANPC1
SCHEMBL5711977 0.76 NOTUM (0.54) ALDH1A1MAPTCASP1CASP3CASP4
SCHEMBL10869086 0.76 LMNA (0.55) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL13521875 0.75 ALDH1A1 (0.45) ALDH1A1MAPTDRD4SMN1; SMN2LMNA

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
EP-0180352-B1 BENZENE-FUSED HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-26 EP disclosed
US-4767780-A SUBSTITUTED 1,4-DIHYDRO-(1)-BENZOPYRANO(4,3-C)PYRAZOLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-30 US disclosed
US-4675324-A Substituted pyrazolo [4,3-c]pyridines and their use as uricosuric, diuretic and anti-hypertensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-23 US disclosed
EP-0180352-A2 Benzene-fused heterocyclic compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed