SCHEMBL29966867

SCHEMBL29966867

CC1(C)OB(c2ccc(F)c3sc(NC(=O)O)nc23)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 0.35
KDR P35968 5/20 0.35
AHR P35869 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CXCR2 P25025 1/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 3/20 0.33
GAA P10253 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL25414681 1.00 PDGFRB (0.35) PDGFRBKDRAHRCA1CA2
SCHEMBL23137524 0.85 LCK (0.39)
SCHEMBL23137525 0.84 LPL (0.32) PDGFRBKDR
SCHEMBL27190929 0.80 MAPT (0.47) KDM4ENPSR1RAB9AMEN1KMT2A
SCHEMBL28853461 0.77 USP30 (0.32)
SCHEMBL27209845 0.77 PDGFRB (0.31) PDGFRBKDR
SCHEMBL24691793 0.76 LCK (0.39)
SCHEMBL21839532 0.74 DYRK1A (0.42) KDRAHRKDM4ENPSR1RAB9A
SCHEMBL23496730 0.74 RAB9A (0.39) AHRKDM4ENPSR1RAB9AMEN1
SCHEMBL30149160 0.72 ALDH1A1 (0.37) KDM4ERAB9AMEN1KMT2ANPC1

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
WO-2022198905-A1 TRICYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2022-09-29 WO disclosed