SCHEMBL30104080

SCHEMBL30104080

O=C1Cc2ncc(C(=O)O)cc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
TDP2 O95551 2/20 0.40
PLK1 P53350 2/20 0.39
P4HA1 P13674 3/20 0.39
P4HTM Q9NXG6 2/20 0.39
GSK3B P49841 2/20 0.38
GSK3A P49840 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
HCAR3 P49019 4/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MIF P14174 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37

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
SCHEMBL19648301 0.85 HTT (0.41) HTTPLK1P4HA1P4HTMGSK3B
SCHEMBL15147661 0.81 ALDH1A1 (0.47) HTTGSK3BDDB1CRBNALDH1A1
SCHEMBL24897446 0.79 KDM4E (0.49) HTTP4HTMHCAR3ALDH1A1
SCHEMBL18940450 0.76 CYP11B1 (0.35) HTTP4HA1P4HTMHCAR3MIF
SCHEMBL24306267 0.75 OTUD7B (0.36) HTTP4HA1P4HTMHCAR3DDB1
SCHEMBL24897390 0.75 HPGD (0.43) HTTCRBNHPGDMGLL
SCHEMBL11662986 0.74 HTT (0.40) HTTP4HA1P4HTMGSK3BGSK3A
SCHEMBL24897467 0.74 SMYD3 (0.67)
SCHEMBL658962 0.74 AHR (0.53) PLK1GSK3BGSK3ACDK5CDK5R1
SCHEMBL13617978 0.74 AHR (0.37) GSK3BGSK3ACDK5CYP1A2

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-4061373-A1 METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE Angion Biomedica Corp. (US) 2022-09-28 EP disclosed