SCHEMBL24840562

SCHEMBL24840562

Cc1cc(C(=O)O)c2cccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.51
IL1B P01584 1/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 7/20 0.48
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE10A Q9Y233 1/20 0.45
KDM6B O15054 1/20 0.45
KDM6A O15550 1/20 0.45
TET3 O43151 1/20 0.45
KDM4A O75164 1/20 0.45
KDM4B O94953 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
TET2 Q6N021 1/20 0.45
ALKBH5 Q6P6C2 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
SCHEMBL30158262 0.85 KDM4E (0.46) IL1BKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL10464631 0.81 DHODH (0.49) DHODHIL1BLMNAKDM4ETDP1
SCHEMBL5761766 0.78 LMNA (0.53) LMNAKDM4ERAB9AL3MBTL1PDE10A
SCHEMBL10464642 0.78 KDM4E (0.49) DHODHIL1BLMNAKDM4ETDP1
SCHEMBL18320732 0.78 DHODH (0.46) DHODHIL1BLMNAKDM4ETDP1
SCHEMBL30744793 0.76 DHODH (0.51) DHODHLMNAKDM4ETDP1NPC1
SCHEMBL25083048 0.76 IL1B (0.49) DHODHIL1BLMNAKDM4ETDP1
SCHEMBL5536745 0.75 ALDH1A1 (0.48) KDM4ENPC1L3MBTL1ALDH1A1CYP3A4
SCHEMBL335469 0.75 NSD2 (0.60) DHODHLMNAKDM4ETDP1RAB9A
SCHEMBL5536749 0.75 ALDH1A1 (0.48) IL1BLMNAKDM4ETDP1NPC1

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-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 WO disclosed