SCHEMBL28304125

SCHEMBL28304125

Cc1ccccc1-c1nc(N)oc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ IKBKB O14920 1/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NR4A2 P43354 1/20 0.42
▸ DPP4 P27487 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39

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
SCHEMBL28302854 0.74 DPP4 (0.45) NR4A2DPP4BACE1NOTUM
SCHEMBL5154427 0.72 NR4A2 (0.68) LMNAADORA2AIKBKBSMN1; SMN2KDM4E
SCHEMBL26645797 0.69 NPC1 (0.48) LMNAADORA2AIKBKBRAB9ASMN1; SMN2
SCHEMBL24071140 0.68 PTPN1 (0.42) ADORA2AIKBKBRAB9ASMN1; SMN2NPC1
SCHEMBL13170400 0.68 RAB9A (0.74) IKBKBRAB9ASMN1; SMN2NPC1CASP3
SCHEMBL6352038 0.67 ADORA2A (0.56) LMNAADORA2ARAB9ASMN1; SMN2NPC1
SCHEMBL7709062 0.67 BACE1 (0.57) ADORA2AIKBKBRAB9ASMN1; SMN2NPC1
SCHEMBL3243767 0.67 LMNA (0.47) LMNAADORA2AIKBKBRAB9ASMN1; SMN2
SCHEMBL28902429 0.67 MPL (0.55) LMNAADORA2ASMN1; SMN2KDM4EMAPT
SCHEMBL2324859 0.67 CSNK1A1 (0.56) LMNAADORA2ARAB9ASMN1; SMN2NPC1

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
CN-110041285-A The preparation method of 2,4,5- of one kind, tri- substituted oxazoline class compound 大连理工大学 2019-07-23 — — CN disclosed
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