SCHEMBL36671102

SCHEMBL36671102

NNC(=S)NCc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
GAA P10253 2/20 1.00
CTSL P07711 1/20 0.64
RECQL P46063 1/20 0.61
POLB P06746 1/20 0.61
HTT P42858 2/20 0.60
KEAP1 Q14145 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPT P10636 3/20 0.59
MAPK1 P28482 1/20 0.59
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NAMPT P43490 1/20 0.58
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
MEN1 O00255 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL5180116 1.00 ALDH1A1 (1.00) ALDH1A1GAACTSLRECQLPOLB
SCHEMBL38659518 0.90 ALDH1A1 (1.00) ALDH1A1GAACTSLRECQLPOLB
SCHEMBL5145645 0.90 ALDH1A1 (1.00) ALDH1A1GAACTSLRECQLPOLB
SCHEMBL11598348 0.83 ALDH1A1 (0.81) ALDH1A1GAACTSLPOLBHTT
SCHEMBL525353 0.83 ALDH1A1 (0.74) ALDH1A1GAACTSLRECQLPOLB
SCHEMBL31241520 0.83 ALDH1A1 (0.74) ALDH1A1GAACTSLRECQLPOLB
SCHEMBL18050211 0.82 ALDH1A1 (0.79) ALDH1A1GAACTSLRECQLPOLB
SCHEMBL11643369 0.82 POLB (0.86) ALDH1A1GAAPOLBHTTSMN1; SMN2
SCHEMBL11355240 0.81 ALDH1A1 (0.77) ALDH1A1GAACTSLRECQLPOLB
SCHEMBL14715315 0.80 ALDH1A1 (0.70) ALDH1A1GAACTSLRECQLPOLB

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
CN-122010896-A Bicyclol derivative, pharmaceutical composition thereof, preparation method and application thereof 中国医学科学院药物研究所 2026-05-12 CN disclosed