SCHEMBL6936352

SCHEMBL6936352

COCCCCNC(=N)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 1/20 0.44
ALOX15 P16050 1/20 0.43
RECQL P46063 1/20 0.39
DDAH1 O94760 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
EPHX2 P34913 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6935672 0.98 MEN1 (0.50) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL1427269 0.93
SCHEMBL395191 0.84
Hydrochloric Acid SCHEMBL395610 0.82
SCHEMBL27450339 0.82 ALDH1A1 (0.41) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL1345487 0.82 MEN1 (0.39) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
Arcaine SCHEMBL303546 0.81 MEN1 (0.62) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL10725759 0.80 MEN1 (0.53) SMN1; SMN2MEN1CYP1A2KMT2AGAA
SCHEMBL11724478 0.80 POLB (0.48) ALDH1A1TSHRRECQLEPHX2POLB
Sulfuric Acid SCHEMBL11559579 0.79 ALOX15 (0.49) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1

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