SCHEMBL6026142

SCHEMBL6026142

Cn1nc(CN=C(N)NN=Cc2c[nH]c3ccccc23)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP3 Q9NSD7 1/20 0.53
MAPT P10636 9/20 0.52
GAA P10253 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL6026134 0.80 MEN1 (0.50) MAPTGAACYP1A2CYP3A4MEN1
SCHEMBL4699425 0.80 RXFP3 (0.42) RXFP3MAPTGAACYP1A2CYP3A4
SCHEMBL4699822 0.79 MAPT (0.63) RXFP3MAPTGAACYP1A2CYP3A4
SCHEMBL4699467 0.73 RXFP3 (0.45) RXFP3MAPTMEN1KMT2ARAB9A
SCHEMBL4698350 0.73 MAPT (0.67) RXFP3MAPTGAACYP1A2CYP3A4
SCHEMBL4701255 0.73 RXFP3 (0.84) RXFP3MAPTGAACYP1A2CYP3A4
SCHEMBL4700992 0.70 RXFP3 (0.66) RXFP3MAPTGAACYP1A2CYP3A4
SCHEMBL7623120 0.70 MAPT (0.74) MAPTGAACYP1A2CYP3A4MEN1
SCHEMBL4332218 0.70 MAPT (1.00) MAPTGAACYP1A2CYP3A4MEN1
SCHEMBL7623116 0.70 MAPT (0.74) MAPTGAACYP1A2CYP3A4MEN1

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-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US claimed