SCHEMBL12658136

SCHEMBL12658136

O=C(O)c1[nH]cc(-c2c[nH]c3c2=CC(Cl)C(Cl)C=3)c1-c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.45
▸ F3 P13726 1/20 0.45
▸ MAP2 P11137 1/20 0.38
▸ NHERF1 O14745 2/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ HTR2A P28223 1/20 0.34
▸ MAP3K14 Q99558 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 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
SCHEMBL12658026 0.88 NR4A2 (0.48) F7F3NR4A2MEN1ALDH1A1
SCHEMBL12658015 0.86 F7 (0.42) F7F3MAP2NHERF1NR4A2
SCHEMBL12658283 0.85 TSHR (0.42) F7F3NHERF1NR4A2GABRP
SCHEMBL12658024 0.84 F7 (0.59) F7F3MAP2NHERF1NR4A2
SCHEMBL12658207 0.81 NR4A2 (0.45) F7F3NR4A2MEN1ALDH1A1
SCHEMBL12658131 0.78 F7 (0.52) F7F3MAP2NHERF1NR4A2
SCHEMBL12658121 0.77 IGF1R (0.37) NR4A2MEN1ALDH1A1MAPTKMT2A
SCHEMBL12658020 0.75 F7 (0.60) F7F3MAP2NHERF1NR4A2
SCHEMBL12658115 0.75 NR4A2 (0.45) F7F3NR4A2HTR2AMEN1
SCHEMBL12658126 0.72 NR4A2 (0.44) F7F3NR4A2HTR2AMEN1

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
EP-1711486-B1 BIS-INDOLE PYRROLES USEFUL AS ANTIMICROBIAL AGENTS NEREUS PHARMACEUTICALS INC (US) 2011-05-11 — — EP disclosed
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