SCHEMBL5800826

SCHEMBL5800826

CC1CCc2nc3ccccc3n21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
RPS6KB1 P23443 1/20 0.38
ROCK1 Q13464 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
CYP2D6 P10635 1/20 0.36
CCR5 P51681 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 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
SCHEMBL18148654 0.83 CYP11B2 (0.39) TP53SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL9261907 0.79 SMN1; SMN2 (0.43) TP53SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL20323533 0.79 CYP11B1 (0.44) SMN1; SMN2CYP11B2ALDH1A1GAAKMT2A
SCHEMBL8970098 0.78 CCR3 (0.37) ALDH1A1GAADDB1CRBNKMT2A
SCHEMBL832130 0.78 ALDH1A1 (0.51) SMN1; SMN2OPRM1ALDH1A1RPS6KB1ROCK1
SCHEMBL15160572 0.78 ALOX15 (0.52) SMN1; SMN2ALDH1A1GAADDB1CRBN
SCHEMBL29794895 0.77 KDM4E (0.45) TP53ALDH1A1GAAKMT2A
SCHEMBL9915108 0.73 TP53 (0.43) TP53SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL830812 0.72 MAPT (0.49) SMN1; SMN2ALDH1A1CYP2D6LMNAKMT2A
SCHEMBL11634591 0.72 TP53 (0.46) TP53OPRM1OPRD1OPRK1OGFRL1

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
WO-2006030127-A1 COMPOSITION COMPRISING AT LEAST ONE SUBSTITUTED CARBOCYANINE DERIVATIVE, KERATIN FIBRE TREATMENT METHOD USING SAME, ASSOCIATED DEVICE AND USE THEREOF L'OREAL (FR) 2006-03-23 WO disclosed