SCHEMBL7312552

SCHEMBL7312552

Cc1ccc([N+](=O)[O-])c(CCCNCC(=O)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL7315272 0.78 FBP1 (0.39) NPC1RAB9AL3MBTL1MAPTTSHR
SCHEMBL7312548 0.75 ALDH1A1 (0.38) SMN1; SMN2NPC1RAB9AMAPTTSHR
SCHEMBL7306219 0.75 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AL3MBTL1TSHR
SCHEMBL3631173 0.74 KAT2B (0.44) SMN1; SMN2MAPTTSHRALDH1A1MEN1
SCHEMBL11740927 0.73 TSHR (0.45) SMN1; SMN2NPC1RAB9AL3MBTL1MAPT
SCHEMBL7311048 0.73 FBP1 (0.44) SMN1; SMN2NPC1RAB9AMAPTTSHR
SCHEMBL27801706 0.72 TSHR (0.46) SMN1; SMN2L3MBTL1MAPTTSHRALDH1A1
SCHEMBL10756385 0.72 TSHR (0.48) SMN1; SMN2L3MBTL1MAPTTSHRALDH1A1
SCHEMBL13236290 0.70 TSHR (0.50) SMN1; SMN2L3MBTL1MAPTTSHRALDH1A1
SCHEMBL8385612 0.70 TSHR (0.43) SMN1; SMN2NPC1RAB9AL3MBTL1MAPT

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-RE31617-E ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS BRISTOL-MYERS COMPANY (US) 1984-06-26 US disclosed
US-3932407-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS BRISTOL-MYERS COMPANY (US) 1976-01-13 US disclosed