SCHEMBL28923643

SCHEMBL28923643

Nc1nc(SCc2ccc(F)cc2Cl)n[nH]1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.76
LMNA P02545 1/20 0.57
ALOX15 P16050 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 2/20 0.49
RECQL P46063 1/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 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
SCHEMBL14027208 0.86 SMN1; SMN2 (1.00) SMN1; SMN2LMNAALDH1A1HPGDRECQL
SCHEMBL14027543 0.80 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHPGDRECQL
SCHEMBL28631726 0.77 RECQL (0.72) SMN1; SMN2LMNAALDH1A1RECQLRAB9A
SCHEMBL5484113 0.73 SMN1; SMN2 (0.82) SMN1; SMN2LMNAHSD17B10ALDH1A1RECQL
SCHEMBL14027202 0.73 SMN1; SMN2 (1.00) SMN1; SMN2LMNAALDH1A1HPGDRECQL
SCHEMBL5368754 0.71 ALOX15 (0.56) SMN1; SMN2LMNAALOX15CRHBPCRHR2
SCHEMBL14027548 0.71 RECQL (0.72) SMN1; SMN2LMNARECQLRAB9ANPC1
SCHEMBL14027549 0.69 SMN1; SMN2 (0.63) SMN1; SMN2LMNAALDH1A1HPGDRECQL
SCHEMBL5321349 0.69 ALOX15 (0.53) SMN1; SMN2LMNAALOX15CRHBPCRHR2
SCHEMBL6207563 0.67 RECQL (0.71) SMN1; SMN2LMNAALOX15HPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110615792-B 2-benzylthio-5-methyl-4, 7-dihydro- [1,2,4] triazolo [1,5-a ] pyrimidine derivatives HEBEI UNIVERSITY OF TECHNOLOGY (CN) 2021-08-31 CN claimed
CN-110615792-A 2-benzylthio-5-methyl-4, 7-dihydro- [1,2,4] triazolo [1,5-a ] pyrimidine derivatives 河北工业大学 2019-12-27 CN claimed
CN-110615792-B 2-benzylthio-5-methyl-4, 7-dihydro- [1,2,4] triazolo [1,5-a ] pyrimidine derivatives HEBEI UNIVERSITY OF TECHNOLOGY (CN) 2021-08-31 CN disclosed
CN-110615792-A 2-benzylthio-5-methyl-4, 7-dihydro- [1,2,4] triazolo [1,5-a ] pyrimidine derivatives 河北工业大学 2019-12-27 CN disclosed