SCHEMBL27926206

SCHEMBL27926206

C#Cc1n[nH]c2ccc(COC(=O)C(C)(C)C)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ NTRK1 P04629 3/20 0.35
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ NPC1 O15118 5/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL27945213 0.85 RAB9A (0.36) LMNARAB9ASMN1; SMN2HSD17B10MAPK10
SCHEMBL27945216 0.76 KDM4E (0.54) LMNAHSD17B10NTRK1GABRA1GABRG2
Tert-Butyl Formate SCHEMBL27926207 0.75 MAP2K4 (0.38) NTRK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL27926231 0.71 TLR7 (0.36) —
SCHEMBL27811452 0.71 MAP2K4 (0.52) LMNARAB9ASMN1; SMN2HSD17B10MAPK10
SCHEMBL27926203 0.70 KDM4E (0.49) LMNARAB9ASMN1; SMN2HSD17B10MAPK10
SCHEMBL27945214 0.69 HTR1D (0.42) LMNAKDM4EGAAGLAHTT
SCHEMBL27305897 0.69 ELANE (0.52) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL28290004 0.68 ENPP2 (0.49) KDM4EMAPTALDH1A1GAAPKM
SCHEMBL13811550 0.68 MAOB (0.54) LMNARAB9ASMN1; SMN2NPC1ALDH1A1

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
CN-103429585-B Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2015-07-08 — — CN disclosed
CN-103429585-A Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2013-12-04 — — CN disclosed
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