SCHEMBL9927339

SCHEMBL9927339

Cc1c2ccccc2c(C)n1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.39
MYC P01106 1/20 0.38
GPR3 P46089 1/20 0.38
CYP2A6 P11509 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.35
ACHE P22303 2/20 0.35
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX12 P18054 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
SCHEMBL20153677 0.79 KDM4E (0.34) CYP1A2KDM4EKMT2AMYCALDH1A1
SCHEMBL24924405 0.79 KDM4E (0.34) CYP1A2KDM4EKMT2AMYCALDH1A1
SCHEMBL11693639 0.73 GPR3 (0.52) CYP1A2KDM4EKMT2AMYCGPR3
SCHEMBL3220620 0.72 KDM4E (0.44) CYP1A2KDM4EGPR3ALDH1A1TSHR
SCHEMBL19234093 0.67 ALDH1A1 (0.39) CYP1A2KDM4EKMT2ACYP2A6ALDH1A1
SCHEMBL17532794 0.67 BCHE (0.42) CYP1A2KDM4EKMT2AMYCALDH1A1
SCHEMBL30148931 0.67 CYP1A2 (0.45) CYP1A2KDM4EKMT2ACYP2A6ALDH1A1
SCHEMBL538480 0.67 CYP1A2 (0.45) CYP1A2KDM4EKMT2ACYP2A6ALDH1A1
SCHEMBL257566 0.67 GPR3 (0.52) CYP1A2KDM4EKMT2AGPR3ALDH1A1
SCHEMBL21155303 0.65 TSHR (0.36) KDM4EKMT2AGPR3ALDH1A1TSHR

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-2463929-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL USING SAME Mitsubishi Chemical Corporation (JP) 2012-06-13 EP disclosed