SCHEMBL7717516

SCHEMBL7717516

CNc1cc(N(C)C)nc(NC)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.66
TAAR1 Q96RJ0 1/20 0.40
MAPT P10636 4/20 0.39
HTR6 P50406 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 2/20 0.38
APEX1 P27695 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DNM2 P50570 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
NSD2 O96028 2/20 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
SCHEMBL11445700 0.81 MAPT (0.50) NUDT1MAPTHTR6ALDH1A1CYP3A4
SCHEMBL20109484 0.79 NUDT1 (1.00) NUDT1HTR6
SCHEMBL15360171 0.79 NUDT1 (0.43) NUDT1TAAR1DNM2MEN1KMT2A
SCHEMBL12499637 0.73 NOS3 (0.58) NUDT1MAPTHTR6ALDH1A1CYP3A4
SCHEMBL8873701 0.72 NUDT1 (0.38) NUDT1TAAR1DNM2MEN1KMT2A
SCHEMBL11037706 0.71 HTR6 (0.47) NUDT1MAPTHTR6ALDH1A1CYP3A4
SCHEMBL15360169 0.71 LMNA (0.42) NUDT1MAPTHTR6ALDH1A1CYP3A4
SCHEMBL7834630 0.71 HTR6 (0.76) MAPTHTR6ALDH1A1CYP3A4CYP2C9
SCHEMBL7825258 0.71 HTR6 (0.60) NUDT1MAPTHTR6ALDH1A1CYP3A4
SCHEMBL7804825 0.70 NUDT1 (0.36) NUDT1TAAR1DNM2MEN1KMT2A

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 1 patent. 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