SCHEMBL20172309

SCHEMBL20172309

CC/C=C\c1c(C)n(S)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.38
▸ KMT2A Q03164 7/20 0.38
▸ USP2 O75604 2/20 0.36
▸ APOBEC3G Q9HC16 2/20 0.36
▸ TNNI3 P19429 1/20 0.36
▸ TNNT2 P45379 1/20 0.36
▸ TNNC1 P63316 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NSD2 O96028 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
SCHEMBL21913072 0.82 TSHR (0.50) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL22841435 0.78 KDM4E (0.46) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL18892113 0.74 HDAC6 (0.38) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL23892901 0.73 ALDH1A1 (0.33) KMT2AALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL12693366 0.71 POLB (0.33) MEN1KMT2AUSP2APOBEC3GTNNI3
SCHEMBL24578600 0.70 RORC (0.35) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL23799224 0.69 MEN1 (0.33) MEN1KMT2AUSP2APOBEC3GTNNI3
SCHEMBL21912903 0.67 TSHR (0.48) MEN1KMT2AUSP2APOBEC3GTNNI3
SCHEMBL24522162 0.66 KMT2A (0.42) MEN1KMT2AUSP2APOBEC3GTNNI3
SCHEMBL10131122 0.66 TSHR (0.45) ALDH1A1LMNATSHRTDP1NPSR1

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-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 — — EP disclosed
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