SCHEMBL8959665

SCHEMBL8959665

COc1c(C(=O)O)[nH]c2ccc(F)c(C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.39
▸ KMT2A Q03164 11/20 0.39
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ POLB P06746 3/20 0.38
▸ GAA P10253 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37

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
SCHEMBL9573821 0.81 TUBB4A (0.51) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9229422 0.80 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3830749 0.77 MAPT (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL8959611 0.76 MCL1 (0.43) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL19331084 0.73 MEN1 (0.41) MEN1KMT2AALDH1A1POLBMCL1
SCHEMBL7778483 0.73 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3255506 0.72 GPR17 (0.55) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL29613774 0.71 MAP2 (0.42) ALDH1A1KDM4EMAPTTUBB4ATUBB
SCHEMBL6291860 0.70 MEN1 (0.60) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL31171910 0.69 EIF4A3 (0.43) ALDH1A1KDM4EHPGDTSHRHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 — — US disclosed
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 — — EP disclosed
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