SCHEMBL4420133

SCHEMBL4420133

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)NCC3CCCO3)on2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 6/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ROCK2 O75116 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
SCHEMBL4414341 0.89 USP30 (0.40) RAB9ANPC1RAF1BRAF
SCHEMBL4569989 0.88 DRD2 (0.44) RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL4411132 0.88 BRAF (0.38) KMT2ARAF1BRAFCYP1A2
SCHEMBL4409369 0.86 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL5593020 0.84 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL4565792 0.83 MAPT (0.41) RAB9ANPC1KMT2AALDH1A1BRAF
SCHEMBL4412696 0.83 USP30 (0.40) RAF1BRAF
SCHEMBL4411278 0.83 MAPT (0.37) RAB9ANPC1KDM4EALDH1A1RAF1
SCHEMBL4410129 0.83 MEN1 (0.44) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL4413451 0.82 RAF1 (0.36) RAF1BRAF

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed