SCHEMBL24690108

SCHEMBL24690108

Cc1ccc(OCc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.47
MAOB P27338 7/20 0.46
IDO1 P14902 2/20 0.46
LIPE Q05469 1/20 0.45
GABRA5 P31644 1/20 0.44
ADAMTS4 O75173 1/20 0.44
RXRA P19793 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5652023 0.81 MAOB (0.62) MRGPRX4MAOBIDO1LIPEKMT2A
SCHEMBL24400853 0.81 MAOB (0.60) MRGPRX4MAOBIDO1LIPEADAMTS4
SCHEMBL30354929 0.81 MAOB (0.62) MRGPRX4MAOBIDO1LIPEKMT2A
SCHEMBL24690180 0.81 MRGPRX4 (0.47) MRGPRX4MAOBIDO1LIPEADAMTS4
SCHEMBL24690163 0.80 NOS1 (0.43) MAOBLIPEGABRA5HPGDMAPT
SCHEMBL16838859 0.79 LIPE (0.55) MRGPRX4MAOBLIPEGABRA5ADAMTS4
SCHEMBL24400852 0.79 ALDH1A1 (0.54) MRGPRX4MAOBIDO1LIPEADAMTS4
SCHEMBL18256806 0.79 LMNA (0.42) MAOBIDO1GABRA5RXRAGRIN1
SCHEMBL510525 0.79 MAOB (0.45) MAOBIDO1GABRA5RXRAKMT2A
SCHEMBL2243975 0.79 MAOB (0.45) MAOB

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-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed