SCHEMBL28841973

SCHEMBL28841973

CCc1c(Br)cnc(C(=O)O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.39
PRNP P04156 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL17512467 0.79 GABRP (0.40) HCAR2KDM4EGABRA1GABRG2GABRB3
SCHEMBL28636839 0.74 FBP1 (0.40) HCAR2KDM4ETSHRTDP1POLB
SCHEMBL15527495 0.74 TSHR (0.34) HCAR2PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL1284339 0.74 TDP1 (0.37) HCAR2CYP1A2HIF1AKDM4EGABRA1
SCHEMBL29065888 0.73 KDM4E (0.37) HCAR2KDM4EGABRA1GABRG2GABRB3
SCHEMBL29771512 0.72 HSD17B10 (0.41) KDM4ETSHRHSD17B10KMOGPR35
SCHEMBL22890254 0.72 HSD17B10 (0.41) KDM4ETSHRHSD17B10KMOGPR35
SCHEMBL15527867 0.72 GABRP (0.33) HCAR2PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL18893724 0.72 HSD17B10 (0.34) HCAR2RXFP1KDM4ETSHRHSD17B10
SCHEMBL17732158 0.72 HCAR2 (0.33) HCAR2KDM4ETSHRHSD17B10TDP1

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-110183449-B Mnk inhibitors and methods related thereto 效应治疗股份有限公司 2022-08-19 CN disclosed