SCHEMBL13731115

SCHEMBL13731115

O=C(O)c1ccc(-c2ccc(C(=O)O)nc2)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 10/20 0.64
▸ P4HA1 P13674 1/20 0.64
▸ MIF P14174 1/20 0.64
▸ KDM4E B2RXH2 4/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ MAP4K4 O95819 1/20 0.56
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HIF1A Q16665 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PKM P14618 1/20 0.48

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
SCHEMBL29929320 0.91 HIF1A (0.55) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL71034 0.91 HIF1A (0.55) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL11044314 0.89 P4HTM (0.53) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL28654391 0.89 P4HTM (0.70) P4HTMP4HA1MIFKDM4EALDH1A1
Hydrochloric Acid SCHEMBL28470042 0.89 HIF1A (0.54) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL31512829 0.88 P4HTM (0.52) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL1951045 0.88 MAP4K4 (0.55) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL2636731 0.88 P4HTM (0.57) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL4725410 0.88 MAP4K4 (0.68) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL254682 0.88 MAP4K4 (0.55) P4HTMP4HA1MIFKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699561-B1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORP (FI) 2015-06-03 — — EP disclosed
US-8921378-B2 Androgen receptor modulating carboxamides ORION CORPORATION (FI) 2014-12-30 — — US disclosed
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 — — EP disclosed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 — — WO disclosed
Send feedback