SCHEMBL12658121

SCHEMBL12658121

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ TEK Q02763 1/20 0.37
▸ SPR P35270 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ NR4A2 P43354 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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 0.89 NR4A2 (0.48) KDM4ENR4A2KMT2AALDH1A1MTNR1A
SCHEMBL14215657 0.84 KDM4E (0.46) IGF1RPDGFRBKITPDGFRAFLT1
SCHEMBL12658207 0.84 NR4A2 (0.45) KDM4ENR4A2KMT2AALDH1A1MTNR1A
SCHEMBL14188730 0.81 NR4A2 (0.54) IGF1RPDGFRBKITPDGFRAFLT1
SCHEMBL12658114 0.80 SPR (0.42) IGF1RPDGFRBKITPDGFRAFLT1
SCHEMBL14188731 0.78 SPR (0.41) IGF1RPDGFRBKITPDGFRAFLT1
SCHEMBL12658016 0.78 SLC6A4 (0.37) IGF1RPDGFRBKITPDGFRAFLT1
SCHEMBL12658265 0.78 MAP2K1 (0.46) FLT1KDRKDM4E
SCHEMBL12658136 0.77 F7 (0.45) NR4A2KMT2AALDH1A1MEN1MAPT
SCHEMBL12658115 0.77 NR4A2 (0.45) KDM4ENR4A2KMT2AALDH1A1MEN1

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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