SCHEMBL7631313

SCHEMBL7631313

N#Cc1nc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(OCCCC3OCCO3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ABL1 P00519 7/20 0.42
BCR P11274 6/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
EPHX2 P34913 5/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PRKCA P17252 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LMNA P02545 1/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7635971 0.88 MAPT (0.46) MAPTABL1BCRNPC1RAB9A
SCHEMBL5205222 0.87 EPHX2 (0.48) MAPTABL1BCRNPC1RAB9A
SCHEMBL7237026 0.87 MAPT (0.45) MAPTABL1BCRNPC1RAB9A
SCHEMBL7240172 0.79 EPHX2 (0.48) MAPTABL1BCREPHX2PDGFRB
SCHEMBL5204573 0.74 EPHX2 (0.52) MAPTABL1BCRNPC1RAB9A
SCHEMBL7239115 0.73 MAPT (0.46) MAPTABL1BCRNPC1RAB9A
SCHEMBL7635766 0.73 CACNA1B (0.41) MAPTLMNASMN1; SMN2
SCHEMBL7088080 0.73 MAPT (0.41) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL7242736 0.68 CLK1 (0.36) MAPTABL1EPHX2PDGFRBCYP11B1
SCHEMBL7635227 0.67 CHRNB2 (0.39) NPC1RAB9AEPHX2

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-6451820-B1 Substituted 1-(4-aminophenly)triazoles and their use as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-17 US claimed
WO-2001072740-A1 SUBSTITUTED 1-(4-AMINOPHENYL) TRIAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-10-04 WO claimed