SCHEMBL894396

SCHEMBL894396

NNC(=O)c1cnccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 16/20 0.56
KDM6B O15054 8/20 0.56
KDM4D Q6B0I6 5/20 0.56
KDM4E B2RXH2 4/20 0.56
KDM4A O75164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 1/20 0.56
THRB P10828 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MPO P05164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2C19 P33261 1/20 0.50
USP2 O75604 1/20 0.45

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
SCHEMBL14361997 0.93 KDM4C (0.56) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL13518160 0.90 KDM4E (0.55) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL29416303 0.82 KDM4C (0.65) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL71335 0.82 KDM4C (0.65) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL19439267 0.81 KDM4C (0.61) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL12516911 0.81 KDM4C (0.53) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL19857493 0.80 KDM4C (0.63) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL28799175 0.80 KDM4C (0.63) KDM4CKDM6BKDM4DKDM4EKDM4A
Hydrochloric Acid SCHEMBL10697489 0.80 KDM4C (0.63) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL27758655 0.80 KDM4C (0.63) KDM4CKDM6BKDM4DKDM4EKDM4A

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
US-20120084883-A1 High Oil Content Plants BAYER CROPSCIENCE N.V. (BE) 2012-04-05 US disclosed