SCHEMBL17633169

SCHEMBL17633169

COC(=O)c1ccc2ncn(COCC[Si](C)(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.48
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ FGFR1 P11362 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ F2 P00734 2/20 0.39
▸ F10 P00742 2/20 0.39
▸ PRSS1 P07477 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39

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
SCHEMBL17633151 0.91 FGFR1 (0.51) BRD4MAPTFGFR1POLBSMN1; SMN2
SCHEMBL31292175 0.80 MTNR1A (0.40) BRD4MTNR1AMTNR1BMAPTPOLB
SCHEMBL29653734 0.80 KDM4E (0.55) MTNR1AMTNR1BPOLBSMN1; SMN2HSD17B10
SCHEMBL19464188 0.80 KDM4E (0.55) MTNR1AMTNR1BPOLBSMN1; SMN2HSD17B10
SCHEMBL17263019 0.80 KDM4E (0.51) BRD4MTNR1AMTNR1BMAPTFGFR1
SCHEMBL24501448 0.80 USP2 (0.40) BRD4MTNR1AMTNR1BMAPTFGFR1
SCHEMBL30640065 0.80 USP2 (0.40) BRD4MTNR1AMTNR1BMAPTFGFR1
SCHEMBL30309791 0.80 TSHR (0.40) BRD4MTNR1AMTNR1BMAPTFGFR1
SCHEMBL25727797 0.80 USP2 (0.40) BRD4MTNR1AMTNR1BMAPTFGFR1
SCHEMBL26680112 0.80 TSHR (0.40) BRD4MTNR1AMTNR1BMAPTFGFR1

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
EP-3197451-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 — — EP disclosed
WO-2016049100-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 — — WO disclosed
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