SCHEMBL11278452

SCHEMBL11278452

O=C(O)c1cc([N+](=O)[O-])ccc1N1Cc2ccccc2C1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
HTT P42858 4/20 0.61
MAPT P10636 5/20 0.60
LMNA P02545 5/20 0.57
POLB P06746 2/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.50
PAX8 Q06710 1/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 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
SCHEMBL11283392 0.86 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL11284594 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL11100421 0.82 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL10502203 0.81 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL1972566 0.81 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL6255487 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL3040101 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL29805486 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL701594 0.78 MAPT (0.57) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL29978606 0.78 MAPT (0.57) ALDH1A1SMN1; SMN2HTTMAPTLMNA

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
EP-0056144-A1 Carboxylic acid derivatives, their preparation and use as pharmaceuticals Dr. Karl Thomae GmbH (DE) 1982-07-21 EP disclosed