SCHEMBL11037348

SCHEMBL11037348

C=CC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
TGM2 P21980 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
RECQL P46063 1/20 0.42
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL21723616 0.82 GAA (0.50) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL2929136 0.81 NPSR1 (0.51) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL9864596 0.78 ALDH1A1 (0.59) RORCTGM2ALDH1A1MAPTMEN1
SCHEMBL22719492 0.78 KMT2A (0.62) RORCTGM2ALDH1A1MAPTMEN1
SCHEMBL9681922 0.78 ALDH1A1 (0.59) TGM2ALDH1A1MAPTMEN1NPC1
SCHEMBL18256222 0.78 ALDH1A1 (0.56) RORCTGM2ALDH1A1MAPTMEN1
SCHEMBL29505028 0.78 KMT2A (0.62) RORCTGM2ALDH1A1MAPTMEN1
SCHEMBL22807394 0.78 ALDH1A1 (0.71) TGM2ALDH1A1MAPTNPC1RAB9A
SCHEMBL17368531 0.78 HTT (0.60) TGM2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5203193 0.74 GAA (0.55) ALDH1A1MAPTMEN1NPC1RAB9A

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-4510140-A HYPOTENSIVE AGENTS; ANTHIHISTAMINES; ANALGESICS; SEDATIVES RECORDATI S.A. (CH) 1985-04-09 US disclosed
EP-0074768-A2 Alkanoylanilides RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1983-03-23 EP disclosed