SCHEMBL25748801

SCHEMBL25748801

O=C(Cl)C(=O)c1c[nH]c2c(F)ccc(F)c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.37
▸ MPO P05164 3/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ CES2 O00748 3/20 0.33
▸ CES1 P23141 3/20 0.33
▸ GUSB P08236 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CLCN2 P51788 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ PCSK9 Q8NBP7 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ LMNA P02545 2/20 0.31

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
SCHEMBL18614837 0.82 ALDH1A1 (0.41) TNFMPOHTR1AALDH1A1CES2
SCHEMBL4393222 0.79 HTR1A (0.40) TNFMPOHTR1AALDH1A1CES2
SCHEMBL1732171 0.77 HTR2A (0.47) ALDH1A1CES2CES1ALOX15
SCHEMBL25423230 0.77 CES2 (0.39) TNFALDH1A1CES2CES1GUSB
SCHEMBL25241237 0.77 GPR84 (0.47) HTR1ACES2CES1
SCHEMBL12215170 0.77 KAT6A (0.30) —
SCHEMBL16597349 0.75 NR4A2 (0.49) ALDH1A1LMNA
SCHEMBL12215154 0.72 TNF (0.35) TNFMPOCES2CES1ADRA2A
SCHEMBL12513768 0.72 TNF (0.35) TNFCES2CES1ADRA2ACLCN2
SCHEMBL13325438 0.71 BRPF1 (0.33) TNFMPOALDH1A1CES2CES1

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-2023115166-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 — — WO disclosed
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