SCHEMBL31432073

SCHEMBL31432073

CC(C)CNC(=O)c1cccc(C(=O)O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
ACMSD Q8TDX5 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL12194924 1.00 KDM4E (0.55) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL18157911 0.93 KMT2A (0.61) KMT2AGAAHSD17B10LMNASMN1; SMN2
SCHEMBL26763902 0.84 P2RX7 (0.63) KMT2AGAAHSD17B10LMNASMN1; SMN2
SCHEMBL28220099 0.81 KDM4E (0.61) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL31432032 0.79 LMNA (0.59) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL31432045 0.78 KDM4E (0.52) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL3105049 0.78 KDM4E (0.61) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL31431975 0.77 KDM4E (0.55) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL16834707 0.77 KDM4E (0.57) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL4260290 0.77 KMT2A (0.59) KDM4EALOX15TDP1KMT2AGAA

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-2025049326-A1 TRICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 BIOCRYST PHARMACEUTICALS, INC. (US) 2025-03-06 WO disclosed