SCHEMBL30986000

SCHEMBL30986000

Cc1csc(NC(=O)N2CCCCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.50
SCD O00767 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
KLK7 P49862 1/20 0.50
NPC1 O15118 1/20 0.49

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
SCHEMBL31461158 0.98 KDM4E (0.58) USP2KDM4EALOX15HSD17B10RAB9A
SCHEMBL31461172 0.85 LMNA (0.67) USP2KDM4EALOX15HSD17B10RAB9A
SCHEMBL15219368 0.85 MAPT (0.50) USP2KDM4EALOX15HSD17B10RAB9A
SCHEMBL10253559 0.80 CNR2 (0.76) RAB9ASMN1; SMN2LMNA
SCHEMBL9370348 0.77 LMNA (0.61) USP2KDM4EHSD17B10RAB9ASMN1; SMN2
SCHEMBL9371263 0.76 NPC1 (0.68) USP2KDM4EHSD17B10RAB9ASMN1; SMN2
SCHEMBL10816647 0.75 RAB9A (0.71) KDM4EHSD17B10RAB9ASMN1; SMN2MAPT
SCHEMBL1691061 0.75 MAPT (0.68) KDM4EHSD17B10RAB9ASMN1; SMN2MAPT
SCHEMBL9370411 0.74 ACHE (0.67) KDM4EHSD17B10RAB9ASMN1; SMN2MAPT
SCHEMBL25769829 0.74 MAPT (0.70) USP2KDM4EALOX15HSD17B10RAB9A

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
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed