SCHEMBL12658220

SCHEMBL12658220

CCc1cc2c(-c3c[nH]c(C(=O)OC)c3-c3c[nH]c4ccc(F)cc34)c[nH]c2cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.43
▸ NOTUM Q6P988 2/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ MPO P05164 8/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NR4A2 P43354 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ PRKAB2 O43741 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAG3 Q9UGI9 1/20 0.36
▸ PRKAG2 Q9UGJ0 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36

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
SCHEMBL12658114 0.91 SPR (0.42) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL14188731 0.89 SPR (0.41) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL14215657 0.87 KDM4E (0.46) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL14188730 0.86 NR4A2 (0.54) SPRNOTUMMTNR1AMTNR1BNR4A2
SCHEMBL12658205 0.81 NR4A2 (0.44) MTNR1AMTNR1BNR4A2SLC6A4PRKAB2
Lynamicin B SCHEMBL12658014 0.80 NR4A2 (0.55) MTNR1AMTNR1BNR4A2KDM4E
SCHEMBL14188735 0.79 NR4A2 (0.52) MTNR1AMTNR1BTSHRNR4A2KDM4E
SCHEMBL12658130 0.79 NR4A2 (0.51) MTNR1AMTNR1BNR4A2KDM4EHTR7
Lynamicin A SCHEMBL12658027 0.79 NR4A2 (0.61) MTNR1AMTNR1BNR4A2KDM4E
SCHEMBL14188729 0.77 KDM4E (0.46) SPRNOTUMMTNR1AMTNR1BMPO

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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