SCHEMBL31349697

SCHEMBL31349697

CCNC(=S)Nc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
ALOX12 P18054 4/20 0.66
KDM4E B2RXH2 3/20 0.66
POLB P06746 1/20 0.66
RAB9A P51151 6/20 0.63
KMT2A Q03164 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPSR1 Q6W5P4 5/20 0.58
NPC1 O15118 2/20 0.56
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.54
MIF P14174 1/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL31349696 1.00 ALDH1A1 (0.66) ALDH1A1ALOX12KDM4EPOLBRAB9A
SCHEMBL14093828 1.00 ALDH1A1 (0.66) ALDH1A1ALOX12KDM4EPOLBRAB9A
SCHEMBL11488553 0.87 ALDH1A1 (0.71) ALDH1A1ALOX12KDM4EPOLBRAB9A
SCHEMBL5452460 0.84 SMN1; SMN2 (0.69) ALDH1A1ALOX12KDM4EPOLBRAB9A
SCHEMBL11310537 0.83 KDM4E (0.58) ALDH1A1ALOX12KDM4EPOLBRAB9A
SCHEMBL2682040 0.83 RAB9A (0.71) ALDH1A1ALOX12KDM4ERAB9AKMT2A
SCHEMBL11839412 0.81 ALDH1A1 (0.70) ALDH1A1ALOX12KDM4EPOLBRAB9A
SCHEMBL4364365 0.80 NPSR1 (0.63) ALDH1A1ALOX12KDM4EPOLBRAB9A
Hydrochloric Acid SCHEMBL11837771 0.80 ALDH1A1 (0.68) ALDH1A1ALOX12KDM4EPOLBRAB9A
SCHEMBL5453846 0.80 ALDH1A1 (0.73) ALDH1A1ALOX12KDM4EPOLBRAB9A

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-119126507-A Photoresist stripping liquid, preparation method and application thereof 浙江奥首材料科技有限公司 2024-12-13 CN disclosed