SCHEMBL28635523

SCHEMBL28635523

Cc1cnc(C(=O)O)cc1C.[LiH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
ASPH Q12797 3/20 0.48
KDM8 Q8N371 2/20 0.48
P4HTM Q9NXG6 6/20 0.48
P4HA1 P13674 1/20 0.48
MIF P14174 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HCAR2 Q8TDS4 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL7083217 0.98 KDM4E (0.50) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL9318758 0.83 KDM4E (0.60) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL19857491 0.83 GABRP (0.63) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL12384971 0.81 UHRF1 (0.52) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL935259 0.81 KMO (0.51) KDM4EASPHKDM8P4HTMP4HA1
Hydrochloric Acid SCHEMBL23884908 0.81 KDM4E (0.58) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL12489210 0.81 GABRP (0.47) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL232024 0.81 KDM4E (0.52) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL1180456 0.81 KDM4E (0.52) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL20161506 0.81 ASPH (0.44) KDM4EASPHKDM8P4HTMP4HA1

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
CN-108349947-B Tetrahydroindazoles and pharmaceutical uses thereof 格纳赛治疗有限公司 2021-10-01 CN disclosed