SCHEMBL11274474

SCHEMBL11274474

O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
APP P05067 6/20 0.64
SNCA P37840 6/20 0.64
SMN1; SMN2 Q16637 1/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
METAP1 P53582 1/20 0.57
PTPRC P08575 2/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
CES1 P23141 1/20 0.53
S100A4 P26447 1/20 0.53
USP18 Q9UMW8 2/20 0.50
UCHL5 Q9Y5K5 2/20 0.50
HSP90AA1 P07900 1/20 0.50
USP2 O75604 1/20 0.50
LCK P06239 1/20 0.50

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
SCHEMBL9287352 0.92 MAPT (0.62) MAPTAPPSNCASMN1; SMN2CASP3
SCHEMBL28647928 0.86 MAPT (0.63) MAPTAPPSNCASMN1; SMN2CASP3
SCHEMBL22625286 0.83 LCK (0.66) MAPTAPPSMN1; SMN2USP2LCK
SCHEMBL28405567 0.82 METAP1 (0.62) MAPTSMN1; SMN2RAB9AMETAP1PTPRC
SCHEMBL30396785 0.82 METAP1 (0.62) MAPTSMN1; SMN2RAB9AMETAP1PTPRC
SCHEMBL7152082 0.80 MAPT (0.57) MAPTAPPSNCASMN1; SMN2CASP3
SCHEMBL27477775 0.79 PTPRC (0.71) MAPTSMN1; SMN2RAB9APTPRCBCHE
SCHEMBL8484153 0.79 APP (1.00) MAPTAPPSNCASMN1; SMN2RAB9A
SCHEMBL17175833 0.79 MAPT (0.58) MAPTAPPSNCASMN1; SMN2CASP3
SCHEMBL8484149 0.79 APP (1.00) MAPTAPPSNCASMN1; SMN2RAB9A

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-4326064-A CORONARODILATING ACTIVITY VIGANTE BRIGITA A 1982-04-20 US disclosed
US-4252956-A CORONARY ARTERY DILATORS VIGANTE BRIGITA A 1981-02-24 US disclosed