SCHEMBL14589054

SCHEMBL14589054

Nc1ccc(C(=O)O)c2cnccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
KDM4C Q9H3R0 4/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
MEN1 O00255 2/20 0.59
MAPT P10636 2/20 0.59
THRB P10828 2/20 0.59
KDM6B O15054 1/20 0.59
KDM4A O75164 1/20 0.59
KDM4D Q6B0I6 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
EP300 Q09472 1/20 0.53
KAT2B Q92831 1/20 0.53
KAT8 Q9H7Z6 1/20 0.53
AXL P30530 1/20 0.49
CYP3A4 P08684 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL11656262 0.87 KDM4C (0.53) KDM4EKDM4CKMT2AALDH1A1TDP1
SCHEMBL14589053 0.80 ALDH1A1 (0.64) KDM4EKDM4CKMT2AALDH1A1TDP1
SCHEMBL5894746 0.78 AXL (0.72) KDM4EKDM4CKMT2AALDH1A1TDP1
SCHEMBL30785801 0.75 KDM4C (0.70) KDM4EKDM4CKMT2AALDH1A1TDP1
SCHEMBL29270366 0.75 KDM4C (1.00) KDM4EKDM4CKMT2AALDH1A1TDP1
SCHEMBL29643531 0.75 KDM4C (1.00) KDM4EKDM4CKMT2AALDH1A1TDP1
SCHEMBL220890 0.75 KDM4C (0.70) KDM4EKDM4CKMT2AALDH1A1TDP1
SCHEMBL535569 0.75 KDM4C (1.00) KDM4EKDM4CKMT2AALDH1A1TDP1
SCHEMBL244632 0.75 KDM4C (0.70) KDM4EKDM4CKMT2AALDH1A1TDP1
SCHEMBL629199 0.75 CDC25B (0.54) KDM4EKMT2AALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed