SCHEMBL12495243

SCHEMBL12495243

Cc1cc2c3c(cccc3c1-c1ccc(Br)cc1C(C)C)-c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.39
▸ PTPRC P08575 1/20 0.36
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ CYP1A2 P05177 2/20 0.32
▸ BRD1 O95696 1/20 0.31

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
SCHEMBL25036229 0.70 TSHR (0.47) PABPC1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL12495754 0.68 HKDC1 (0.41) PABPC1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL12492147 0.68 HKDC1 (0.44) PABPC1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL9847741 0.66 ALDH1A1 (0.59) PABPC1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL15673166 0.66 PABPC1 (0.50) PABPC1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL21014702 0.65 NMUR2 (0.40) PABPC1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL10254844 0.65 HKDC1 (0.41) PABPC1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL20173170 0.64 PDK2 (0.40) PABPC1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL18659162 0.64 PDK2 (0.40) PABPC1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL22635004 0.64 PABPC1 (0.78) PABPC1KDM4EMAPTSMN1; SMN2ALDH1A1

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-2011081429-A2 ORGANIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-07-07 — — WO disclosed
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