SCHEMBL4407767

SCHEMBL4407767

Cc1ccc(NC(=O)c2cc(C#N)cc(N3CCCC3)c2)cc1C1C=CON1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CSF1R P07333 1/20 0.40
MAPK14 Q16539 12/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
LRRK2 Q5S007 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4407765 0.76 RAF1 (0.45) CNR1NPC1RAB9AUSP2ALDH1A1
SCHEMBL5593307 0.71 MAPK14 (0.51) CSF1RMAPK14RAF1BRAF
SCHEMBL5593311 0.71 RAF1 (0.46) CSF1RRAF1BRAF
SCHEMBL5593449 0.70 CSF1R (0.57) CSF1RMAPK14RAF1BRAF
SCHEMBL5592959 0.67 MAPK14 (0.53) SMN1; SMN2MAPK14RAF1BRAFTP53
SCHEMBL4541481 0.67 RAB9A (0.47) NPC1RAB9ACSF1RMAPK14RAF1
SCHEMBL4410942 0.66 BRAF (0.45) CSF1RRAF1BRAF
SCHEMBL4412596 0.66 ACKR3 (0.43) NPC1RAB9ACSF1RMAPK14RAF1
SCHEMBL5593352 0.66 RAF1 (0.41) NPC1RAB9AUSP2ALDH1A1SMN1; SMN2
SCHEMBL4412693 0.66 RAF1 (0.49) CSF1RRAF1BRAF

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
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