SCHEMBL7937766

SCHEMBL7937766

Nc1c(Cl)cnc(OCC(=O)O)c1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.37
▸ PLAU P00749 2/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CYP2C19 P33261 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAP3K8 P41279 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL11632190 0.84 KMT2A (0.42) KMT2ATDP1PLAUPTGDR2MAP4K4
SCHEMBL1888799 0.75 KMT2A (0.46) KMT2ATDP1PLAUPTGDR2MCL1
SCHEMBL27134799 0.74 KMT2A (0.46) KMT2ATDP1PTGDR2MCL1TSHR
SCHEMBL21246893 0.73 AURKA (0.38) TSHRSMN1; SMN2ALOX5APFEN1CYP2C19
SCHEMBL11896614 0.71 KMO (0.42) KMT2ATDP1KDM4E
SCHEMBL11628134 0.71 ALDH1A1 (0.39) KMT2ASMN1; SMN2KDM4EHTT
Acetic Acid SCHEMBL29196921 0.70 KMT2A (0.33) KMT2ATDP1KDM4E
SCHEMBL11000247 0.70 TDP1 (0.53) KMT2ATDP1PLAUMCL1TSHR
Fluroxypyr SCHEMBL29396793 0.70 TDP1 (0.35) KMT2ATDP1PLAUPTGDR2MAP4K4
Fluroxypyr SCHEMBL23545 0.70 TDP1 (0.35) KMT2ATDP1PLAUPTGDR2MAP4K4

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
US-6316386-B1 HERBICIDES AND ANTIGROWTH AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2001-11-13 — — US disclosed
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