SCHEMBL13016100

SCHEMBL13016100

c1ccc(-c2cncc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)c2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
PKM P14618 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
KLF5 Q13887 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2A6 P11509 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
ABL1 P00519 1/20 0.38
GRM5 P41594 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL13015754 0.92 CYP11B1 (0.47) KDM4ELMNAMAPTPKMSMN1; SMN2
SCHEMBL24813335 0.91 CYP11B1 (0.44) KDM4ELMNAMAPTPKMSMN1; SMN2
SCHEMBL10032477 0.88 GRM5 (0.40) KDM4ELMNAMAPTPKMSMN1; SMN2
SCHEMBL17227659 0.87 KDM4E (0.52) KDM4ELMNAMAPTPKMSMN1; SMN2
SCHEMBL17320823 0.86 CYP2A6 (0.39) KDM4ELMNAMAPTPKMSMN1; SMN2
SCHEMBL13016150 0.85 KDM4E (0.48) KDM4ELMNAMAPTPKMSMN1; SMN2
SCHEMBL17227628 0.85 SMN1; SMN2 (0.50) KDM4ELMNAMAPTPKMSMN1; SMN2
SCHEMBL13015329 0.85 CYP11B1 (0.49) KDM4ECYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL10032727 0.85 TRPV1 (0.41) KDM4ELMNAMAPTPKMSMN1; SMN2
SCHEMBL24662785 0.84 KDM4E (0.55) KDM4ELMNAMAPTPKMSMN1; SMN2

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-2010137678-A1 ELECTRON TRANSPORTING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME チッソ株式会社 (JP) 2010-12-02 WO disclosed