SCHEMBL9725384

SCHEMBL9725384

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 8/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALPG P10696 1/20 0.53
HTR6 P50406 1/20 0.48
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KAT2B Q92831 1/20 0.47
HTT P42858 1/20 0.47
BCHE P06276 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
Hydrochloric Acid SCHEMBL9760520 0.92 SMN1; SMN2 (0.55) ALDH1A1NPSR1MAPTLMNASMN1; SMN2
SCHEMBL9725417 0.89 ALDH1A1 (0.67) ALDH1A1NPSR1MAPTLMNASMN1; SMN2
SCHEMBL9759851 0.87 MAPT (0.56) ALDH1A1MAPTLMNASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL9759845 0.86 MAPT (0.55) ALDH1A1MAPTLMNASMN1; SMN2TDP1
SCHEMBL9725552 0.85 ALDH1A1 (0.52) ALDH1A1NPSR1MAPTLMNASMN1; SMN2
SCHEMBL5345296 0.84 ALDH1A1 (0.51) ALDH1A1NPSR1MAPTLMNASMN1; SMN2
SCHEMBL10580319 0.83 MAPT (0.58) ALDH1A1MAPTLMNASMN1; SMN2TDP1
SCHEMBL10576590 0.83 LMNA (0.68) ALDH1A1MAPTLMNASMN1; SMN2TDP1
SCHEMBL29392855 0.83 KAT2B (0.59) ALDH1A1MAPTLMNASMN1; SMN2TDP1
SCHEMBL762553 0.83 SMN1; SMN2 (0.60) ALDH1A1MAPTLMNASMN1; SMN2TDP1

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