SCHEMBL28358702

SCHEMBL28358702

Cc1cc(C)cc(-c2ccc3ccc(-c4ccc(C(C)C)cc4)cc3n2)c1.Cc1cc(C)cc(-c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
DHODH Q02127 2/20 0.34
MAPT P10636 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL17453337 0.93 MEN1 (0.38) HPGDKDM4EALDH1A1SMN1; SMN2DHODH
SCHEMBL28354939 0.86 DHODH (0.44) ARHPGDKDM4EALDH1A1LMNA
SCHEMBL30598671 0.86 AR (0.47) ARHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL1922922 0.86 AR (0.47) ARHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL28354681 0.85 KDM4E (0.40) ARHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL28355002 0.85 ALOX5AP (0.38) ARKDM4EDHODH
SCHEMBL4434489 0.83 RAB9A (0.40) HPGDKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL10078863 0.77 IGF1R (0.47) HPGDKDM4EALDH1A1SMN1; SMN2NFKB1
SCHEMBL24795838 0.76 ESR1 (0.40) HPGDKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL17453342 0.76 MAPK14 (0.40) ARMEN1RAB9AKMT2ANPC1

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
CN-110790793-A Organic electroluminescent material and device 环球展览公司 2020-02-14 CN disclosed