SCHEMBL22900653

SCHEMBL22900653

CNc1ccc2c(c1)ncn2COCC[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.41
▸ RAB9A P51151 11/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 8/20 0.40
▸ MAPT P10636 6/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TP53 P04637 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ GFER P55789 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ ALOX15 P16050 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
Hydrochloric Acid SCHEMBL29224227 0.99 NPC1 (0.40) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL22524619 0.90 BRD4 (0.36) NPC1RAB9AKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL29224350 0.89 BRD4 (0.36) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL22900721 0.85 NPC1 (0.38) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL5952134 0.83 FGFR1 (0.41) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL25427962 0.82 FGFR1 (0.40) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL20401102 0.82 MAPT (0.55) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL1271910 0.82 NPC1 (0.41) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL31450920 0.82 SMN1; SMN2 (0.38) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL5953456 0.82 DGAT1 (0.40) NPC1RAB9AKMT2AMEN1KDM4E

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
CN-118139859-A Benzimidazole and azabenzimidazole IL-17 inhibitor compounds 詹森药业有限公司 2024-06-04 — — CN disclosed
CN-118119613-A Benzimidazoles as IL-17 modulators 詹森药业有限公司 2024-05-31 — — CN disclosed
WO-2021009068-A1 N-SUBSTITUTED-3,4-(FUSED 5-RING)-5-PHENYL-PYRROLIDINE-2-ONE COMPOUNDS AS INHIBITORS OF ISOQC AND/OR QC ENZYME SCENIC IMMUNOLOGY B.V. (NL) 2021-01-21 — — WO disclosed
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