SCHEMBL8989181

SCHEMBL8989181

COc1ccc(-c2ncc(C)n2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
CLK4 Q9HAZ1 1/20 0.44
COMT P21964 1/20 0.44
DYRK1A Q13627 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 3/20 0.42
ALOX15 P16050 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
SCHEMBL1544992 0.80 ALDH1A1 (0.47) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL28177690 0.80 ALDH1A1 (0.50) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL10915891 0.78 HPGD (0.46) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL28176775 0.77 ALDH1A1 (0.48) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL8989228 0.77 MAP4K4 (0.53) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL8453399 0.76 HPGDS (0.58) MAPTRAB9AALDH1A1KMT2AKDM4E
SCHEMBL22494221 0.76 RAB9A (0.62) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL24173752 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL18761886 0.74 DYRK1A (0.47) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL17055917 0.74 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2AKDM4E

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
US-5545645-A Heterocyclic derivatives in the treatment of ischaemia and related diseases SYNTEX PHARMACEUTICALS, LIMITED (GB) 1996-08-13 US disclosed
US-5428037-A Piperazine derivatives; calcium and sodium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1995-06-27 US disclosed