SCHEMBL8866550

SCHEMBL8866550

NCc1ccc2nc(-c3cccc(C(=O)NCCC(=O)O)c3)cn2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.47
▸ CFD P00746 1/20 0.45
▸ RAB9A P51151 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ GFER P55789 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ FYN P06241 3/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ METTL3 Q86U44 2/20 0.41
▸ CAMK2D Q13557 1/20 0.41
▸ WDR5 P61964 2/20 0.41
▸ GAA P10253 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
SCHEMBL8867799 0.89 ALDH1A1 (0.50) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL8866671 0.87 GFER (0.48) NR4A2CFDRAB9ASMN1; SMN2KDM4E
SCHEMBL8867530 0.79 ADORA3 (0.43) CFDRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL8866558 0.76 SUV39H2 (0.47) RAB9ASMN1; SMN2KDM4ENPC1GFER
SCHEMBL8866633 0.75 NR4A2 (0.43) NR4A2RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL25878920 0.74 KDM4E (0.67) RAB9ASMN1; SMN2KDM4EMAPTNPC1
SCHEMBL20946386 0.74 ALDH1A3 (0.63) RAB9ASMN1; SMN2KDM4EMAPTNPC1
SCHEMBL9235389 0.74 ALDH1A1 (0.53) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL9252196 0.74 ALDH1A1 (0.56) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL8866636 0.73 KDM4E (0.41) CFDRAB9ASMN1; SMN2KDM4EMAPT

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
US-5614531-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 — — US disclosed
EP-0668278-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1995-08-23 — — EP disclosed
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