SCHEMBL30786234

SCHEMBL30786234

COC(=O)c1ccccc1Sc1ccnc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
ATR Q13535 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 3/20 0.42
KDM4A O75164 1/20 0.39
POLB P06746 1/20 0.39
PKLR P30613 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
KCNA5 P22460 1/20 0.36

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
SCHEMBL30786204 0.91 NSD2 (0.41) ALDH1A1KDM4EKDM4ACA2CA4
Hydrochloric Acid SCHEMBL30786175 0.79 MAPT (0.44) KMT2AALDH1A1HSD17B10KDM4EALOX15
SCHEMBL30041561 0.79 ATR (0.43) KMT2AATRALDH1A1HSD17B10KDM4E
SCHEMBL12682404 0.77 ATR (0.47) ATRKDM4EALOX15KDM4ASMN1; SMN2
SCHEMBL31133034 0.77 ATR (0.47) ATRKDM4EALOX15KDM4ASMN1; SMN2
SCHEMBL3416327 0.74 ACACB (0.45) ATRKDM4ECA2ACACBACACA
SCHEMBL3312747 0.74 HDAC1 (0.44) ATRALDH1A1KDM4EPOLBACACB
SCHEMBL21455931 0.74 L3MBTL1 (0.45) KMT2AATRMAPTKDM4ACYP3A4
SCHEMBL29085960 0.73 L3MBTL1 (0.44) ATRMAPTKDM4ACYP3A4NPSR1
SCHEMBL27426145 0.73 ACACB (0.43) ATRKDM4EKDM4ACA2CA4

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