SCHEMBL30675626

SCHEMBL30675626

COc1ccc(NC(=O)CCl)cc1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
ENPP1 P22413 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
HTT P42858 1/20 0.48
GSTO1 P78417 1/20 0.47

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
SCHEMBL20679586 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL30675606 0.88 CNR1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20679533 0.88 CNR1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20679550 0.87 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29663501 0.87 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1634709 0.84 GAA (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7931398 0.84 MEN1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5860120 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL30475554 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20679575 0.83 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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-111615388-B Immunotherapeutic agent for cancer 斯汀格瑞治疗股份有限公司 2023-11-14 CN disclosed