SCHEMBL7712166

SCHEMBL7712166

CCCN(CCC)c1cc(N(C)C)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.44
S1PR3 Q99500 1/20 0.44
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
AR P10275 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCAR3 P49019 2/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
MAP3K5 Q99683 1/20 0.38
ELOVL1 Q9BW60 1/20 0.37
CRHR1 P34998 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE1B Q01064 1/20 0.36

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
SCHEMBL7712168 0.83 KMT2A (0.51) S1PR1S1PR3CYP1A2CYP2D6ALDH1A1
SCHEMBL7717522 0.80 CYP1A2 (0.50) JAK3CYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL28062217 0.78 JAK2 (0.46) S1PR1S1PR3JAK2JAK3AR
Sulfuric Acid SCHEMBL20164452 0.74 S1PR1 (0.41) S1PR1S1PR3JAK2JAK3AR
SCHEMBL7718046 0.70 SMN1; SMN2 (0.43) S1PR1S1PR3JAK2JAK3ALDH1A1
SCHEMBL17623064 0.69 KMT2A (0.46) S1PR1S1PR3ARALDH1A1KMT2A
SCHEMBL5405794 0.69 SMN1; SMN2 (0.40) S1PR1S1PR3JAK2JAK3AR
Hydrochloric Acid SCHEMBL11781344 0.69 KMT2A (0.56) S1PR1S1PR3JAK2JAK3CYP1A2
SCHEMBL6768502 0.68 CRHR1 (0.32) CRHR1
SCHEMBL21016705 0.68 DNM2 (0.50) JAK3CYP1A2CYP2D6ALDH1A1CYP3A4

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-6380263-B1 ADMINISTERING TO HUMAN EFFECTIVE TYROSINASE ACTIVITY-STIMULATING AMOUNT OF AT LEAST ONE 6-SUBSTITUTED PYRIMIDINE 3-OXIDE COMPOUND FOR PROMOTING PIGMENTATION OF THE SKIN AND/OR HAIR SOCIETE L'OREAL (FR) 2002-04-30 US disclosed
US-5756092-A DRUGS OR COSMETIC MIXTURE TREATING SKIN DISORDERS, ALOPECIA SOCIETEL'OREAL S.A. (FR) 1998-05-26 US disclosed