SCHEMBL3381701

SCHEMBL3381701

O=C(O)Oc1cc2ccc(Br)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.43
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ NCEH1 Q6PIU2 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL3381954 0.87 FLT3 (0.48) HRH4AHRNCEH1
SCHEMBL28690110 0.85 HRH4 (0.42) HRH4AHRNCEH1
SCHEMBL3411403 0.80 DAO (0.50) KDM4EMAPT
SCHEMBL3418189 0.80 ALOX15 (0.52) HRH4KDM4E
SCHEMBL3414920 0.80 DAO (0.50) AHRKDM4E
SCHEMBL3420585 0.78 FLT3 (0.54) HRH4KDM4EMAPTL3MBTL1
SCHEMBL1833251 0.77 KDM4E (0.55) KDM4EMAPTL3MBTL1
SCHEMBL30920180 0.74 KDM4E (0.59) HRH4KDM4EMAPT
SCHEMBL1647680 0.74 KDM4E (0.59) HRH4KDM4EMAPT
SCHEMBL112135 0.74 GPR35 (0.55) —

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-2149554-A1 Indolyamides as modulators for an EP2 receptor Bayer Schering Pharma Aktiengesellschaft (DE) 2010-02-03 — — EP disclosed
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