SCHEMBL4552349

SCHEMBL4552349

Cc1ncc(Nc2cc(F)cc(N3CCCC3)c2)cc1C(=O)Nc1ccc(NCC(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
MAPK14 Q16539 3/20 0.38
LCK P06239 2/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.37
MCL1 Q07820 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR1 P34998 1/20 0.37
RPS6KA3 P51812 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
SMO Q99835 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL4541431 0.99 MAPT (0.41) MAPTRAB9ANPC1MAPK14LCK
SCHEMBL4552257 0.93 PDE4B (0.44) MAPTRAB9AMAPK14ALDH1A1SMN1; SMN2
SCHEMBL4552351 0.91 MAPK14 (0.44) MAPTRAB9ANPC1MAPK14LCK
SCHEMBL4541485 0.91 MAPT (0.42) MAPTRAB9ANPC1MAPK14LCK
SCHEMBL4541434 0.90 MAPK14 (0.43) MAPTRAB9ANPC1MAPK14LCK
SCHEMBL4543574 0.90 RAB9A (0.43) MAPTRAB9ANPC1MAPK14LCK
SCHEMBL5490596 0.89 CRHR1 (0.50) MAPTRAB9ANPC1MAPK14LCK
SCHEMBL5489508 0.88 CRHR1 (0.49) MAPTRAB9ANPC1MAPK14LCK
SCHEMBL5487264 0.87 CRHR1 (0.47) MAPTRAB9ANPC1MAPK14LCK
SCHEMBL5488461 0.87 CRHR1 (0.47) MAPTRAB9ANPC1MAPK14LCK

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 3 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