SCHEMBL9725417

SCHEMBL9725417

COc1ccc(NCCN(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
NPSR1 Q6W5P4 1/20 0.67
SMN1; SMN2 Q16637 5/20 0.57
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 6/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPK1 P28482 3/20 0.50
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
LMNA P02545 2/20 0.48
KAT2B Q92831 1/20 0.48
PKM P14618 1/20 0.47

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
SCHEMBL9725384 0.89 ALDH1A1 (0.56) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4233854 0.85 HCAR3 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2472513 0.83 KAT2B (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10804569 0.83 MEN1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL21815032 0.83 MAPT (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1009970 0.83 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6938256 0.82 MEN1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL10781769 0.82 KAT2B (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9725410 0.82 ALDH1A1 (0.72) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL1594797 0.82 ALDH1A1 (0.72) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A

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-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed