SCHEMBL7956735

SCHEMBL7956735

N#Cc1ccc(CCC(=O)N2CCCCc3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.51
KCNH2 Q12809 2/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
DRD4 P21917 1/20 0.50
ALDH1A1 P00352 5/20 0.46
LMNA P02545 5/20 0.46
ABCB1 P08183 1/20 0.45
GAA P10253 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
TP53 P04637 1/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A9 P48067 1/20 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
SCHEMBL6984975 0.94 DRD4 (0.57) KCNJ1KCNH2MAPTSMN1; SMN2DRD4
SCHEMBL7959087 0.84 TP53 (0.48) MAPTSMN1; SMN2ALDH1A1ABCB1GAA
SCHEMBL6978707 0.82 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL6983845 0.82 KCNJ1 (0.45) KCNJ1KCNH2MAPTSMN1; SMN2DRD4
SCHEMBL6979722 0.82 TP53 (0.48) MAPTSMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL6981640 0.80 NR3C1 (0.47) SMN1; SMN2ALDH1A1LMNATP53HPGD
SCHEMBL6979462 0.80 MAPT (0.58) MAPTSMN1; SMN2DRD4ALDH1A1TP53
SCHEMBL6980061 0.80 KCNJ1 (0.47) KCNJ1KCNH2MAPTSMN1; SMN2DRD4
SCHEMBL6983746 0.80 NR3C1 (0.47) ALDH1A1LMNAGAAHPGDNPSR1
SCHEMBL6981826 0.80 PDK1 (0.52) ALDH1A1TP53HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed