SCHEMBL5285392

SCHEMBL5285392

CCC1(c2ccccc2)N=NN=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL5275530 0.82 KDM4E (0.35) TSHRMEN1POLBKMT2ACYP1A2
SCHEMBL5279220 0.79 OPRM1 (0.44) TSHRKDM4EGAAALDH1A1HPGD
SCHEMBL5280463 0.77 MMP2 (0.46) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL3925565 0.76 GAA (0.41) TSHRPOLBKMT2ATDP1LMNA
SCHEMBL2233425 0.76 MAOA (0.32)
SCHEMBL18788061 0.76 TSHR (0.37) TSHRMEN1POLBKMT2ACYP1A2
SCHEMBL5275494 0.76 OPRM1 (0.32) POLBALDH1A1OPRM1OPRK1OPRL1
SCHEMBL5280180 0.76 ALDH1A1 (0.36) MEN1KMT2AALDH1A1OPRM1OPRK1
SCHEMBL6002542 0.76 LMNA (0.33) MEN1POLBKMT2ALMNAOPRM1
SCHEMBL5276415 0.76 MMP2 (0.49) MEN1KMT2AKDM4EGAAALDH1A1

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
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed