SCHEMBL14589058

SCHEMBL14589058

CC(=O)Nc1ccc(C(Br)Br)c2cnccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EGFR P00533 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
TRPV1 Q8NER1 4/20 0.36
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
IMPDH2 P12268 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
SCHEMBL5657172 0.81 RXFP1 (0.64) CHUKRXFP1EGFRKMT2AMEN1
SCHEMBL5657826 0.79 RXFP1 (0.45) CHUKRXFP1KMT2AMEN1KDM4E
SCHEMBL4021056 0.78 EP300 (0.51) CHUKRXFP1KMT2AMEN1KDM4E
SCHEMBL4020385 0.74 KMT2A (0.55) CHUKKMT2AMEN1MAPTALDH1A1
SCHEMBL16508198 0.71 CASP6 (0.44) CHUKRXFP1KMT2AMEN1KDM4E
SCHEMBL25899546 0.71 CHUK (0.43) CHUKRXFP1EGFRKMT2AMEN1
SCHEMBL9651248 0.70 MEN1 (0.53) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL4023574 0.70 MAPT (0.62) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL30645377 0.70 MEN1 (0.53) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL12277695 0.69 MAPT (0.50) CHUKMAPTALDH1A1HPGD

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