SCHEMBL29337383

SCHEMBL29337383

N[C@H](CO)c1cccc(OC(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CFD P00746 4/20 0.41
▸ F11 P03951 4/20 0.41
▸ TPSB2 P20231 4/20 0.41
▸ KCNJ5 P48544 1/20 0.40
▸ KCNJ3 P48549 1/20 0.40
▸ MEP1B Q16820 1/20 0.40
▸ DRD1 P21728 1/20 0.39
▸ ANPEP P15144 1/20 0.38
▸ ENPEP Q07075 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38

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
Hydrochloric Acid SCHEMBL18765845 0.98 KMT2A (0.43) KMT2ASMN1; SMN2CFDF11TPSB2
Hydrochloric Acid SCHEMBL29676660 0.98 KMT2A (0.43) KMT2ASMN1; SMN2CFDF11TPSB2
Hydrochloric Acid SCHEMBL18765843 0.98 KMT2A (0.43) KMT2ASMN1; SMN2CFDF11TPSB2
SCHEMBL22952702 0.83 KMT2A (0.40) KMT2ASMN1; SMN2KCNJ5KCNJ3MEP1B
SCHEMBL22952765 0.82 SCN4A (0.42) KMT2ASMN1; SMN2MEP1BDRD1ANPEP
SCHEMBL22965296 0.82 SCN4A (0.42) KMT2ASMN1; SMN2MEP1BDRD1ANPEP
Hydrochloric Acid SCHEMBL28700399 0.82 KMT2A (0.40) KMT2ASMN1; SMN2KCNJ5KCNJ3MEP1B
SCHEMBL22952665 0.82 KMT2A (0.40) KMT2ASMN1; SMN2KCNJ5KCNJ3MEP1B
Hydrochloric Acid SCHEMBL28700400 0.82 KMT2A (0.40) KMT2ASMN1; SMN2KCNJ5KCNJ3MEP1B
Hydrochloric Acid SCHEMBL29440415 0.82 KMT2A (0.40) KMT2ASMN1; SMN2KCNJ5KCNJ3MEP1B

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-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 — — EP disclosed
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