SCHEMBL27945213

SCHEMBL27945213

CC(C)(C)C(=O)OCc1ccc2[nH]nc(C#C[Si](C)(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ GABRA1 P14867 3/20 0.36
▸ GABRG2 P18507 3/20 0.36
▸ GABRB3 P28472 3/20 0.36
▸ GABRA5 P31644 3/20 0.36
▸ GABRA3 P34903 3/20 0.36
▸ GABRA2 P47869 3/20 0.36
▸ GABRA6 Q16445 2/20 0.36
▸ NTRK1 P04629 3/20 0.34
▸ GABRA4 P48169 2/20 0.34
▸ NPC1 O15118 4/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 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
SCHEMBL27926206 0.85 LMNA (0.38) RAB9ALMNASMN1; SMN2HSD17B10MAPK10
Tert-Butyl Formate SCHEMBL27945215 0.77 MAP2K4 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
Tert-Butyl Formate SCHEMBL27945219 0.69 MAP2K4 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27811452 0.68 MAP2K4 (0.52) RAB9ALMNASMN1; SMN2HSD17B10MAPK10
SCHEMBL27926203 0.68 KDM4E (0.49) RAB9ALMNASMN1; SMN2HSD17B10MAPK10
SCHEMBL27305897 0.67 ELANE (0.52) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL25097632 0.66 NTRK1 (0.40) NTRK1LRRK2MAP2K4
SCHEMBL28290004 0.66 ENPP2 (0.49) MAPTALDH1A1USP2NPSR1KDM4E
SCHEMBL13811550 0.65 MAOB (0.54) RAB9ALMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL7257833 0.65 LMNA (0.47) RAB9ALMNASMN1; SMN2HSD17B10MAPK10

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
Send feedback