SCHEMBL30573045

SCHEMBL30573045

COc1cc(F)cc(NC(=O)CC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 3/20 0.48
GAA P10253 1/20 0.48
CACNA1H O95180 1/20 0.47
MEN1 O00255 4/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CRHBP P24387 1/20 0.45
CYP2C19 P33261 1/20 0.45
CRHR2 Q13324 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL26607013 1.00 KMT2A (0.57) KMT2APOLBL3MBTL1LMNAGAA
SCHEMBL2710816 0.83 KMT2A (0.53) KMT2APOLBLMNAGAAMEN1
SCHEMBL5031966 0.81 LMNA (0.56) KMT2APOLBL3MBTL1LMNASMN1; SMN2
SCHEMBL30368270 0.80 KMT2A (0.50) KMT2APOLBLMNAGAAMEN1
SCHEMBL16896918 0.76 NPC1 (0.74) KMT2AL3MBTL1LMNAGAAMEN1
SCHEMBL30573043 0.76 ACP1 (0.47) KMT2APOLBLMNAGAAMEN1
SCHEMBL26606902 0.76 ACP1 (0.47) KMT2APOLBLMNAGAAMEN1
SCHEMBL308447 0.75 L3MBTL1 (0.69) KMT2APOLBL3MBTL1LMNAMEN1
SCHEMBL7904920 0.75 KMT2A (0.71) KMT2APOLBL3MBTL1LMNAGAA
SCHEMBL2711919 0.75 KMT2A (0.49) KMT2APOLBL3MBTL1MEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed