SCHEMBL28847313

SCHEMBL28847313

O=C(O)CNc1ccccc1F.[KH].[KH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.45
PARP1 P09874 1/20 0.44
EGFR P00533 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL28307658 1.00 CXCL8 (0.53) CXCL8NPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL28780309 0.98 CXCL8 (0.54) CXCL8NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2018214 0.98 CXCL8 (0.54) CXCL8NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28122217 0.96 CXCL8 (0.53) CXCL8NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5692314 0.83 PARP1 (0.51) CXCL8RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL188545 0.83 PARP1 (0.46) CXCL8NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7850943 0.83 RAB9A (0.47) CXCL8NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5966407 0.81 ALB (0.47) CXCL8NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23361657 0.81 ALDH1A1 (0.54) CXCL8NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30093188 0.81 ALDH1A1 (0.54) CXCL8NPC1RAB9ASMN1; SMN2ALDH1A1

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-109912439-B Method for continuously and rapidly preparing DL-phenylglycine and analogue thereof by using cyanohydrin method 天宝动物营养科技股份有限公司 2022-09-23 CN disclosed