SCHEMBL14733135

SCHEMBL14733135

Cc1cccc(-c2cccc(CCCc3cccc(-c4nc(C)cc(Cl)n4)n3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
TGFBR1 P36897 2/20 0.41
KMT2A Q03164 1/20 0.40
FFAR1 O14842 4/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
GRM5 P41594 1/20 0.35
KCNH2 Q12809 2/20 0.34
METAP2 P50579 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
HTT P42858 1/20 0.33
NOS3 P29474 1/20 0.33

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
SCHEMBL14732901 0.90 CCR1 (0.50) CCR1CCR8TGFBR1FFAR1NOS1
SCHEMBL9217242 0.85 LMNA (0.58) LMNACCR1CCR8TGFBR1KMT2A
SCHEMBL10372073 0.85 LMNA (0.47) LMNATGFBR1KMT2AFFAR1NOS1
SCHEMBL14733132 0.84 CCR1 (0.43) CCR1CCR8TGFBR1FFAR1NOS1
SCHEMBL14733146 0.83 CCR1 (0.42) CCR1CCR8TGFBR1FFAR1NOS1
SCHEMBL14733157 0.83 GRM5 (0.44) CCR1CCR8TGFBR1FFAR1GRM5
SCHEMBL14732969 0.82 CCR1 (0.64) CCR1CCR8TGFBR1NOS1NOS2
SCHEMBL14733147 0.82 CCR1 (0.41) CCR1CCR8TGFBR1KMT2AFFAR1
SCHEMBL14733005 0.80 GRM5 (0.44) CCR1CCR8TGFBR1FFAR1GRM5
SCHEMBL31127370 0.79 CCR1 (0.58) LMNACCR1CCR8TGFBR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026866-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed