SCHEMBL19624858

SCHEMBL19624858

CCOC(=O)c1[nH]nc(-c2ccc(-c3nc4ccccc4o3)cc2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ TP53 P04637 3/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ CEPT1 Q9Y6K0 1/20 0.47
▸ TARBP2 Q15633 2/20 0.46
▸ AURKA O14965 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ RIPK1 Q13546 1/20 0.43
▸ HPGDS O60760 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ PTPN2 P17706 1/20 0.42

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
SCHEMBL19533678 0.90 MAPT (0.50) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL19545219 0.87 MAPT (0.47) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL27321802 0.80 RAB9A (0.63) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL19533676 0.79 MAPT (0.62) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5317300 0.75 HDAC6 (0.54) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL593327 0.73 KDM4E (0.58) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2838238 0.73 ALDH1A1 (0.54) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5937229 0.72 ALDH1A1 (0.53) MAPTSMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL25060404 0.72 MAPT (0.49) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL19624943 0.72 ALDH1A1 (0.53) MAPTSMN1; SMN2RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 — — EP disclosed
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