SCHEMBL7704487

SCHEMBL7704487

Cc1ccc(CCNC2=NC=CC(CC#N)N2c2nc3ccccc3s2)cc1.N#CCC1C=CN=C(NCCc2ccc(Oc3ccccc3)cc2)N1c1nc2ccccc2s1.N#CCC1C=CN=C(NCCc2cccc(F)c2)N1c1nc2ccccc2s1.N#CCC1C=CN=C(NCCc2ccccc2Oc2ccccc2)N1c1nc2ccccc2s1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.36
EPHX2 P34913 3/20 0.36
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ACP1 P24666 1/20 0.30

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
SCHEMBL6017539 0.90 NPC1 (0.34) LTA4HEPHX2LMNA
SCHEMBL4192274 0.86 NPC1 (0.31)
SCHEMBL4191147 0.85 RAB9A (0.39) LTA4HEPHX2LMNA
SCHEMBL4194901 0.85 LTA4H (0.38) LTA4HEPHX2LMNAGAA
SCHEMBL4190183 0.83 MAPT (0.40) LMNAGAAHPGD
SCHEMBL4192264 0.81 LMNA (0.40) LTA4HEPHX2LMNAHPGD
SCHEMBL4190204 0.80 MAPT (0.37) LMNA
SCHEMBL4192472 0.80 NPC1 (0.46) LMNA
SCHEMBL4186370 0.79 RAB9A (0.42) LMNAHPGDACP1
SCHEMBL7701894 0.79

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
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed