SCHEMBL8639436

SCHEMBL8639436

C=CCCCC/C(=C\c1ccc(OC)cc1)c1ccc(OC)cc1SC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.40
▸ MAPT P10636 4/20 0.35
▸ ABCG2 Q9UNQ0 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ APP P05067 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TNFRSF1A P19438 1/20 0.35
▸ NQO2 P16083 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ LSS P48449 2/20 0.33

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
SCHEMBL8639439 1.00 FLT3 (0.40) FLT3MAPTABCG2CYP3A4SMN1; SMN2
SCHEMBL8636941 0.83 NQO2 (0.39) FLT3MAPTABCG2CYP3A4SMN1; SMN2
SCHEMBL8636945 0.83 NQO2 (0.39) FLT3MAPTABCG2CYP3A4SMN1; SMN2
SCHEMBL8639155 0.80 MAPT (0.41) MAPTABCG2CYP3A4SMN1; SMN2MEN1
SCHEMBL8639158 0.80 MAPT (0.41) MAPTABCG2CYP3A4SMN1; SMN2MEN1
SCHEMBL8636912 0.75 MAPT (0.41) MAPTSMN1; SMN2LMNAAPPKMT2A
SCHEMBL8636914 0.75 MAPT (0.41) MAPTSMN1; SMN2LMNAAPPKMT2A
SCHEMBL8636977 0.73 TUBB1 (0.49) MAPTABCG2CYP3A4SMN1; SMN2MEN1
SCHEMBL8636973 0.73 TUBB1 (0.49) MAPTABCG2CYP3A4SMN1; SMN2MEN1
SCHEMBL8638839 0.73 NQO2 (0.39) FLT3MAPTABCG2CYP3A4SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516257-B1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AG (DE) 1998-08-05 — — EP disclosed
US-5470854-A Antiestrogens SCHERING AKTIENGESELLSCHAFT (DE) 1995-11-28 — — US disclosed
WO-1992021669-A1 2-PHENYLBENZO[B]FURANS AND THIOPHENES, METHODS OF PREPARING THEM AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-10 — — WO disclosed
EP-0516257-A1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-02 — — EP disclosed
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