SCHEMBL9766025

SCHEMBL9766025

CCOC(=O)N1CCN(c2ncc(F)c(SC)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
PTPN11 Q06124 1/20 0.49
MAPT P10636 11/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9400880 0.79 HTT (0.55) HTTPTPN11MAPTMEN1KMT2A
SCHEMBL25274946 0.74 GPR119 (0.55) HTTPTPN11MAPTMEN1KMT2A
SCHEMBL30166221 0.74 GPR119 (0.55) HTTPTPN11MAPTMEN1KMT2A
SCHEMBL10996666 0.74 PTPN11 (0.57) HTTPTPN11MAPTMEN1KMT2A
SCHEMBL9482270 0.74 MAPT (0.51) HTTPTPN11MAPTMEN1KMT2A
SCHEMBL9400997 0.74 MAPT (0.55) HTTPTPN11MAPTMEN1KMT2A
SCHEMBL9400930 0.74 SMN1; SMN2 (0.71) HTTPTPN11MAPTMEN1KMT2A
SCHEMBL24053853 0.73 GPR119 (0.59) PTPN11MAPTMEN1KMT2AALDH1A1
SCHEMBL9766029 0.73 PIK3CD (0.37) MAPTKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10849115 0.72 GAA (0.56) HTTMAPTMEN1KMT2AALDH1A1

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
US-4994460-A Treatment or prevention of disorders resulting from central nervous system anoxia BRISTOL-MYERS SQUIBB CO. (US) 1991-02-19 US disclosed
EP-0400661-A1 Agents for treatment of brain ischemia Bristol-Myers Squibb Company (US) 1990-12-05 EP disclosed
US-4423049-A TRANQUILIZERS MEAD JOHNSON & COMPANY (US) 1983-12-27 US disclosed