SCHEMBL9725397

SCHEMBL9725397

COC(=O)c1ccc2c(c1)[nH]c(=O)n2CCN(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
KDM4E B2RXH2 8/20 0.55
GAA P10253 8/20 0.55
HPGD P15428 5/20 0.55
KMT2A Q03164 4/20 0.55
GLA P06280 4/20 0.55
HSD17B10 Q99714 3/20 0.55
HTT P42858 2/20 0.55
PKM P14618 2/20 0.55
MEN1 O00255 3/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.45
RAD52 P43351 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CCR4 P51679 1/20 0.44
MAPT P10636 3/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
TP53 P04637 1/20 0.42

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 SCHEMBL9725495 0.99 ALDH1A1 (0.54) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL5320024 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL9725434 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHPGDKMT2A
Hydrochloric Acid SCHEMBL9725433 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL14530088 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL4915808 0.81 KDM4E (0.53) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL9725445 0.80 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10CCR4
SCHEMBL15687345 0.79 SMN1; SMN2 (0.58) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL4254017 0.79 KDM4E (0.54) ALDH1A1KDM4EGAAHPGDKMT2A
Hydrochloric Acid SCHEMBL9725523 0.79 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10RAB9A

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