SCHEMBL31095680

SCHEMBL31095680

COC(=O)c1ccc2ccsc2c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
CXCR2 P25025 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PTGS1 P23219 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
SCHEMBL3932933 0.82 CA12 (0.42) KMT2ASMN1; SMN2MEN1KDM4ENPC1
SCHEMBL16970402 0.82 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2MEN1KDM4ENPC1
SCHEMBL3815462 0.77 MAPT (0.40) KMT2ASMN1; SMN2MEN1CXCR2KDM4E
SCHEMBL3812327 0.77 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2MEN1KDM4ENPC1
SCHEMBL2084218 0.77 TSHR (0.46) KMT2ASMN1; SMN2MEN1KDM4ENPC1
SCHEMBL522062 0.76 CA12 (0.52) SMN1; SMN2KDM4ENPC1RAB9ACASP3
SCHEMBL3810155 0.76 KDM4E (0.43) KMT2ASMN1; SMN2MEN1KDM4EL3MBTL1
SCHEMBL3816635 0.74 CA12 (0.41) KMT2ASMN1; SMN2MEN1CXCR2KDM4E
SCHEMBL20509597 0.74 KMT2A (0.41) KMT2ASMN1; SMN2MEN1KDM4ENPC1
SCHEMBL3817412 0.74 KMT2A (0.41) KMT2ASMN1; SMN2MEN1KDM4ENPC1

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
EP-4680247-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF Insmed Incorporated (US) 2026-01-21 EP disclosed
WO-2024192416-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF INSMED INCORPORATED (US) 2024-09-19 WO disclosed