SCHEMBL21705942

SCHEMBL21705942

Cc1n(C)cc[n+]1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.32
KDM4E B2RXH2 1/20 0.30
APOBEC3A P31941 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
Bicarbonate SCHEMBL28294907 0.71 HDAC8 (0.43) HDAC8KDM4EAPOBEC3ASMN1; SMN2APOBEC3G
SCHEMBL10033873 0.69 CA1 (0.34) KDM4EAPOBEC3ASMN1; SMN2APOBEC3G
SCHEMBL27686412 0.68 APOBEC3A (0.43) HDAC8KDM4EAPOBEC3ASMN1; SMN2APOBEC3G
SCHEMBL2749536 0.65 SMN1; SMN2 (0.34) KDM4EAPOBEC3ASMN1; SMN2APOBEC3G
SCHEMBL329129 0.64
Bromide SCHEMBL4110552 0.63 KDM4E (0.37) HDAC8KDM4EAPOBEC3AAPOBEC3G
Acetic Acid SCHEMBL1223457 0.63 CA1 (0.33) APOBEC3AAPOBEC3G
SCHEMBL28084940 0.63 HDAC8 (0.43) HDAC8KDM4EAPOBEC3ASMN1; SMN2APOBEC3G
Water SCHEMBL3793832 0.62
Hydrochloric Acid SCHEMBL1996433 0.62

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
WO-2020030582-A1 METHOD FOR PRODUCING CARBONIC ESTERS BASF SE (DE) 2020-02-13 WO disclosed