SCHEMBL30786273

SCHEMBL30786273

COC(=O)c1ccccc1Sc1ccnc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
PKLR P30613 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.42
POLB P06746 4/20 0.42
HSD17B10 Q99714 1/20 0.42
PSMD14 O00487 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.40
KDR P35968 1/20 0.40
GAA P10253 4/20 0.39
KDM4E B2RXH2 3/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 3/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL30786209 0.85 SLC22A12 (0.45) ALDH1A1POLBCYP1A2NPSR1KDR
Hydrochloric Acid SCHEMBL30786175 0.77 MAPT (0.44) MAPTPKLRALDH1A1HTTPOLB
SCHEMBL5887723 0.74 SIRT1 (0.61) MAPTPKLRALDH1A1HTTPOLB
SCHEMBL26676262 0.73 MAPT (0.65) MAPTALDH1A1HTTPOLBCYP3A4
SCHEMBL4440485 0.73 HSD17B10 (0.64) MAPTPKLRALDH1A1HTTPOLB
SCHEMBL6934243 0.72 SMN1; SMN2 (0.50) MAPTPKLRALDH1A1HTTPOLB
SCHEMBL4802025 0.72 MAPT (0.55) MAPTPKLRALDH1A1HTTPOLB
SCHEMBL6542706 0.71 KIT (0.56) ALDH1A1POLBHSD17B10KMT2AGAA
SCHEMBL30786234 0.71 KMT2A (0.43) MAPTPKLRALDH1A1HTTPOLB
SCHEMBL2224335 0.71 KDM4E (0.55) MAPTALDH1A1HTTHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025082316-A1 OPHTHALMIC FORMATION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州必扬医药科技有限公司 2025-04-24 WO disclosed
WO-2024032584-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-02-15 WO disclosed