SCHEMBL22303101

SCHEMBL22303101

COC(=O)CCSc1ccnc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 5/20 0.52
▸ PRNP P04156 5/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ POLB P06746 2/20 0.52
▸ CYP1A2 P05177 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ SLC22A12 Q96S37 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GSTP1 P09211 1/20 0.41
▸ GSTM2 P28161 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41

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
SCHEMBL8084106 0.80 NPC1 (0.50) KMT2APOLBCYP1A2ALDH1A1HPGD
SCHEMBL22493827 0.77 NUDT1 (0.47) RXFP1PRNPKMT2APOLBGSTP1
SCHEMBL4059940 0.77 KDM4E (0.50) CYP1A2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL2116085 0.77 CYP1A2 (0.54) RXFP1KMT2APOLBCYP1A2ALDH1A1
SCHEMBL9379792 0.77 MAPT (0.47) RXFP1PRNPKMT2APOLBCYP1A2
SCHEMBL22440531 0.76 KMT2A (0.42) RXFP1PRNPKMT2APOLBCYP1A2
SCHEMBL21855732 0.76 GSTP1 (0.43) RXFP1PRNPKMT2APOLBALDH1A1
SCHEMBL29506065 0.76 GSTP1 (0.43) RXFP1PRNPKMT2APOLBALDH1A1
SCHEMBL8084767 0.76 RAB9A (0.50) KMT2APOLBALDH1A1MAPK1HPGD
SCHEMBL14641227 0.76 HTR1A (0.46) RXFP1PRNPKMT2APOLBSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
WO-2020156243-A1 SHP2 INHIBITOR AND APPLICATION THEREOF 贝达药业股份有限公司 2020-08-06 — — WO disclosed
Send feedback