SCHEMBL9968227

SCHEMBL9968227

CC(C)(C)c1ncc2c3ccccc3n(-c3cc(F)cc(-c4cc(F)cc(-n5c6ccccc6c6cnc(C(C)(C)C)nc65)c4)c3)c2n1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.32
USP2 O75604 3/20 0.31
CYP1A2 P05177 3/20 0.31
MEN1 O00255 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR1 P21554 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL9968246 0.78 KDM4E (0.36) USP2CYP1A2MEN1CASP1CASP7
SCHEMBL10090537 0.75 ATM (0.52) CYP1A2KMT2AALDH1A1CYP2C19GRM5
SCHEMBL15469020 0.75 ATM (0.40) ALDH1A1CYP2C9MAPK1
SCHEMBL9968081 0.73 GPR3 (0.46) MEN1KMT2AHSD17B10ALDH1A1MAPK1
SCHEMBL9968262 0.71 ALDH1A1 (0.33) MEN1CASP1CASP7KMT2AHSD17B10
SCHEMBL25699964 0.69 KDM4E (0.48) CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL13174316 0.69 ATM (0.48) CYP1A2KMT2AALDH1A1CYP2C19GRM5
SCHEMBL22771507 0.69 ATM (0.44) MEN1KMT2AHSD17B10ALDH1A1CYP2C9
SCHEMBL8739869 0.67 ATM (0.58) CYP1A2ALDH1A1CYP2C19
SCHEMBL17702799 0.66 GRM5 (0.39) KMT2AALDH1A1CYP2C19GRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed