SCHEMBL28850757

SCHEMBL28850757

O=C(O)NNC(=O)c1cnc2cc(Cc3ccccc3)nn2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.47
KDM4E B2RXH2 3/20 0.46
APOBEC3A P31941 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 2/20 0.40
FYN P06241 3/20 0.40
GRK5 P34947 1/20 0.40
ALKBH5 Q6P6C2 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAPT P10636 2/20 0.39
FTO Q9C0B1 1/20 0.39
BRD4 O60885 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KDM5A P29375 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
SCHEMBL23540645 0.88 HDAC6 (0.48) HDAC6KDM4EAPOBEC3ARAB9ASMN1; SMN2
SCHEMBL23540398 0.88 HDAC6 (0.50) HDAC6KDM4EAPOBEC3ARAB9ASMN1; SMN2
SCHEMBL23541010 0.85 HDAC6 (0.41) HDAC6KDM4EAPOBEC3ARAB9ASMN1; SMN2
SCHEMBL23541040 0.85 HDAC6 (0.52) HDAC6KDM4EAPOBEC3ARAB9ASMN1; SMN2
SCHEMBL7485602 0.83 LMNA (0.57) HDAC6KDM4EAPOBEC3ARAB9ASMN1; SMN2
SCHEMBL23540360 0.80 HDAC6 (0.46) HDAC6KDM4EAPOBEC3ARAB9ASMN1; SMN2
SCHEMBL23562539 0.77 HDAC6 (0.54) HDAC6KDM4EAPOBEC3ARAB9ASMN1; SMN2
SCHEMBL31747056 0.71 BAZ2B (0.59) RAB9ASMN1; SMN2HSD17B10LMNAFYN
SCHEMBL23562856 0.70 HDAC6 (0.51) HDAC6KDM4EAPOBEC3ARAB9ASMN1; SMN2
SCHEMBL5070925 0.68 KDM4E (0.49) KDM4EAPOBEC3ARAB9ASMN1; SMN2POLB

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-114980887-A Fluoroalkyl-oxadiazoles and their use 特纳亚治疗股份有限公司 2022-08-30 CN disclosed