SCHEMBL24690180

SCHEMBL24690180

FC(F)(F)c1ccc(COc2ccc(Br)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.47
MAOB P27338 6/20 0.46
IDO1 P14902 2/20 0.46
THRB P10828 1/20 0.46
PTPN1 P18031 2/20 0.43
LIPE Q05469 1/20 0.43
ADAMTS4 O75173 1/20 0.42
KMT2A Q03164 1/20 0.41
SLC2A1 P11166 1/20 0.40
PTGER1 P34995 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3040045 0.82 SLC2A1 (0.57) MRGPRX4MAOBIDO1THRBPTPN1
SCHEMBL510047 0.82 MAOB (0.49) MAOBIDO1KMT2AKDM4E
SCHEMBL21327422 0.82 GRM5 (0.40) MRGPRX4MAOBTHRBADAMTS4KDM4E
SCHEMBL5652023 0.81 MAOB (0.62) MRGPRX4MAOBIDO1LIPEKMT2A
SCHEMBL30354929 0.81 MAOB (0.62) MRGPRX4MAOBIDO1LIPEKMT2A
SCHEMBL24400853 0.81 MAOB (0.60) MRGPRX4MAOBIDO1LIPEADAMTS4
SCHEMBL24690108 0.81 MRGPRX4 (0.47) MRGPRX4MAOBIDO1LIPEADAMTS4
SCHEMBL24400852 0.79 ALDH1A1 (0.54) MRGPRX4MAOBIDO1PTPN1LIPE
SCHEMBL18429708 0.79 APP (0.59) IDO1KDM4E
SCHEMBL510168 0.78 GABRA5 (0.52) MAOBKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326708-A1 GPR35 AGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2024-02-28 EP disclosed
CN-117529472-A GPR35 agonist compounds 赫普泰雅治疗有限公司 2024-02-06 CN disclosed
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed