SCHEMBL3129544

SCHEMBL3129544

NC(=O)c1cc(N2CCCCC2)nc(C(N)=O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
IKBKB O14920 1/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
PIK3CB P42338 1/20 0.41
PARP1 P09874 2/20 0.41
PRKD3 O94806 1/20 0.41
PRKD1 Q15139 1/20 0.41

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
SCHEMBL16506082 0.81 LMNA (0.59) ALDH1A1HPGDKDM4EGAATSHR
SCHEMBL28825917 0.75 KMO (0.55) ALDH1A1HPGDKDM4EGAATSHR
SCHEMBL31468673 0.74 CXCR4 (0.49) ALDH1A1HPGDKDM4EGAATSHR
SCHEMBL10002521 0.71 HSD11B1 (0.58) ALDH1A1HPGDKDM4EGAATSHR
SCHEMBL29546455 0.70 HRH3 (0.49) ALDH1A1HPGDKDM4EGAATSHR
SCHEMBL11635317 0.70 CYP1A2 (0.51) ALDH1A1HPGDKDM4EGAATSHR
SCHEMBL6651425 0.69 POLB (0.64) ALDH1A1HPGDKDM4EGAATSHR
SCHEMBL5041190 0.68 HRH3 (0.50) ALDH1A1HPGDKDM4EGAATSHR
SCHEMBL11636961 0.68 CYP1A2 (0.49) ALDH1A1HPGDKDM4EGAATSHR
SCHEMBL4505999 0.67 KDM4E (0.43) ALDH1A1HPGDKDM4EGAATSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344198-B1 LIPID BASED PHARMACEUTICAL PREPARATIONS FOR TOPICAL APPLICATION JINA PHARMACEUTICALS INC (US) 2020-11-04 EP disclosed
US-9750812-B2 Lipid based pharmaceutical preparations for oral and topical application; their compositions, methods, and uses thereof JINA PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20140322148-A1 Oil Compositions and Methods for Increasing Hair Growth and/or Preventing Hair Loss JACKSON ADRIANNA JANELL (US) 2014-10-30 US disclosed
EP-2782582-A2 OIL COMPOSITIONS AND METHODS FOR INCREASING HAIR GROWTH AND/OR PREVENTING HAIR LOSS Jackson, Adrianna Janell (US) 2014-10-01 EP disclosed
WO-2013078259-A2 OIL COMPOSITIONS AND METHODS FOR INCREASING HAIR GROWTH AND/OR PREVENTING HAIR LOSS JACKSON ADRIANNA JANELL (US) 2013-05-30 WO disclosed
WO-2010036947-A2 LIPID BASED PHARMACEUTICAL PREPARATIONS FOR ORAL AND TOPICAL APPLICATION; THEIR COMPOSITIONS, METHODS, AND USES THEREOF JINA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed