SCHEMBL25801914

SCHEMBL25801914

C=C(CC)NC(=O)COc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
APOBEC3G Q9HC16 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL25816162 0.86 MRGPRX4 (0.43) MRGPRX4KMT2AMEN1MAPTALDH1A1
SCHEMBL25815642 0.81 ALDH1A1 (0.50) MRGPRX4KMT2AMEN1MAPTALDH1A1
SCHEMBL20999307 0.80 MRGPRX4 (0.39) MRGPRX4KMT2AMEN1MAPTALDH1A1
SCHEMBL22956306 0.78 ADORA3 (0.42) MRGPRX4KMT2AMEN1MAPTRAB9A
SCHEMBL19569741 0.77 MRGPRX4 (0.46) MRGPRX4KMT2AMEN1MAPTALDH1A1
SCHEMBL22956371 0.77 MEN1 (0.39) MRGPRX4KMT2AMEN1MAPTALDH1A1
SCHEMBL20974037 0.77 ATF4 (0.56) MRGPRX4ALDH1A1RAB9ANPC1HPGD
SCHEMBL19555277 0.76 MRGPRX4 (0.59) MRGPRX4MAPTALDH1A1KDM4EGAA
SCHEMBL24116726 0.76 RAB9A (0.42) MRGPRX4KMT2AMAPTALDH1A1RAB9A
SCHEMBL19555348 0.75 MRGPRX4 (0.54) MRGPRX4KMT2AMEN1MAPTALDH1A1

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-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 EP disclosed