SCHEMBL4543576

SCHEMBL4543576

Cc1ncc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cc1C(=O)Nc1ccc(NC(C)C)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
MAPK14 Q16539 5/20 0.43
SMO Q99835 1/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
LCK P06239 1/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
EIF2S1 P05198 1/20 0.39
EIF2AK3 Q9NZJ5 1/20 0.39

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
SCHEMBL4541488 0.99 MAPK14 (0.44) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4409138 0.93 MAPK14 (0.50) MAPK14
SCHEMBL4541434 0.90 MAPK14 (0.43) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4543574 0.90 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4552351 0.89 MAPK14 (0.44) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4552138 0.89 KCNQ3 (0.50) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4541485 0.89 MAPT (0.42) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4552127 0.88 KCNQ3 (0.51) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL5489512 0.86 CRHR1 (0.49) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL5490107 0.86 MAPK14 (0.39) RAB9ANPC1SMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed