SCHEMBL6936355

SCHEMBL6936355

COCCCCN=C(N)N

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
DHPS P49366 1/20 0.50
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
DDAH1 O94760 1/20 0.47
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL6935678 0.98 MEN1 (0.58) MEN1KMT2ACYP1A2ALOX15NFKB1
SCHEMBL1427272 0.93
SCHEMBL4113473 0.82
Arcaine SCHEMBL1737639 0.79 CYP1A2 (0.77) MEN1KMT2ACYP1A2ALOX15NFKB1
SCHEMBL1736310 0.76 DHPS (0.78) MEN1KMT2ACYP1A2ALOX15NFKB1
SCHEMBL4094464 0.74 NOS1 (0.37) MEN1KMT2ACYP1A2ALOX15NFKB1
SCHEMBL6938637 0.74 NOS1 (0.37) MEN1KMT2ACYP1A2ALOX15NFKB1
Hydrochloric Acid SCHEMBL3139421 0.73 DHPS (0.74) MEN1KMT2ACYP1A2ALOX15NFKB1
Synthalin SCHEMBL9948763 0.73 DHPS (0.74) MEN1KMT2ACYP1A2ALOX15NFKB1
Sulfuric Acid SCHEMBL11559582 0.73 BLM (0.50) MEN1KMT2AALOX15BLMPMP22

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-0805674-B1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORP (JP) 2003-03-12 EP disclosed
US-6348200-B1 OXYALKYLAMIDE OR AMINE DERIVATIVES;AT LEAST ONE OF POLYHYDRIC ALCOHOLS, OR VEGETABLE EXTRACTS, OR ORGANIC ACIDS; IMPROVES WATER-RETAINING ABILITY OF HORNY LAYER, CURES ROUGHNESS AND PREVENTS WRINKLES KAO CORPORATION (JP) 2002-02-19 US disclosed
US-6187955-B1 A MOISTURIZER FOR SOFTENING SKINS; USEFUL AS COMPONENTS OF COSMETIC FORMULATIONS KAO CORPORATION (JP) 2001-02-13 US disclosed
US-5723133-A GUANIDINE WITH ORGANIC ACID FOR SKIN SOFTENING KAO CORPORATION (JP) 1998-03-03 US disclosed
EP-0805674-A1 SKIN AND HAIR COSMETIC COMPOSITIONS Kao Corporation (JP) 1997-11-12 EP disclosed
WO-1997014401-A1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORPORATION (JP) 1997-04-24 WO disclosed