SCHEMBL7244223

SCHEMBL7244223

N#CC1N(c2ccncc2)C=CN1c1ccc(NCc2ccc(OCCCC3OCCO3)nc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
CACNA1B Q00975 1/20 0.31

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
SCHEMBL7092382 0.74 ITK (0.31)
SCHEMBL7242736 0.74 CLK1 (0.36) KDM4EMAPT
SCHEMBL7237712 0.60 RAD52 (0.36)
SCHEMBL7232820 0.58 ALDH1A1 (0.39) KDM4EMAPT
SCHEMBL7630028 0.58 ABCB1 (0.36) MAPTHTT
SCHEMBL7707552 0.58 LTB4R (0.31) CACNA1B
SCHEMBL16055915 0.57 KDM4E (0.51) KDM4EMAPTALOX12HTT
SCHEMBL17131831 0.54 MAPT (1.00) KDM4EMAPTALOX12HTT
SCHEMBL30855012 0.54 MAPT (0.89) KDM4EMAPTALOX12HTT
SCHEMBL20129089 0.54 LSS (0.34) KDM4EMAPT

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-6627647-B1 Substituted 1-(4-aminophenyl)imidazoles and their use as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-09-30 US claimed
WO-2001070703-A2 SUBSTITUTED 1-(4-AMINOPHENYL)IMIDAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-09-27 WO claimed