SCHEMBL8343142

SCHEMBL8343142

Brc1ccc(-c2csc(-c3nc4ccccc4[nH]3)n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.80
▸ MAPT P10636 6/20 0.80
▸ ALDH1A1 P00352 6/20 0.80
▸ TP53 P04637 5/20 0.80
▸ KMT2A Q03164 5/20 0.80
▸ MEN1 O00255 4/20 0.80
▸ HSD17B10 Q99714 4/20 0.80
▸ HPGD P15428 3/20 0.80
▸ ALOX15 P16050 2/20 0.80
▸ CYP3A4 P08684 2/20 0.80
▸ TDP1 Q9NUW8 2/20 0.80
▸ MAPK1 P28482 1/20 0.80
▸ BRCA1 P38398 1/20 0.80
▸ SMN1; SMN2 Q16637 10/20 0.57
▸ NPC1 O15118 9/20 0.57
▸ GAA P10253 3/20 0.57
▸ RAB9A P51151 9/20 0.55
▸ LMNA P02545 2/20 0.55
▸ FKBP1A P62942 2/20 0.52
▸ PKN1 Q16512 1/20 0.50

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
SCHEMBL8343381 0.89 KDM4E (0.94) KDM4EMAPTALDH1A1TP53KMT2A
SCHEMBL7965438 0.89 KDM4E (1.00) KDM4EMAPTALDH1A1TP53KMT2A
SCHEMBL8346891 0.86 KDM4E (0.80) KDM4EMAPTALDH1A1TP53KMT2A
SCHEMBL8343385 0.86 KDM4E (0.80) KDM4EMAPTALDH1A1TP53KMT2A
SCHEMBL8345592 0.83 ALDH1A1 (0.74) KDM4EMAPTALDH1A1TP53KMT2A
SCHEMBL8858908 0.81 KDM4E (0.70) KDM4EMAPTALDH1A1TP53KMT2A
SCHEMBL8346940 0.80 KDM4E (0.58) KDM4EMAPTALDH1A1TP53KMT2A
SCHEMBL481735 0.79 NPC1 (0.72) KDM4EMAPTALDH1A1TP53KMT2A
SCHEMBL8343432 0.78 KDM4E (0.74) KDM4EMAPTALDH1A1TP53KMT2A
SCHEMBL13942807 0.78 NPC1 (0.70) KDM4EMAPTALDH1A1TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958950-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1999-09-28 — — US claimed
US-5958950-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1999-09-28 — — US disclosed
WO-1997012615-A1 BENZIMIDAZOLE DERIVATIVES AS 15-LO INHIBITORS WARNER-LAMBERT COMPANY (US) 1997-04-10 — — WO disclosed
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