SCHEMBL4565940

SCHEMBL4565940

Cc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)cc1-c1cc(C(=O)NCC(C)(C)C)on1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
NR1H4 Q96RI1 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK14 Q16539 2/20 0.43
F2R P25116 1/20 0.42
RAF1 P04049 8/20 0.42
BRAF P15056 8/20 0.42
RORC P51449 1/20 0.42
BLK P51451 1/20 0.41
BTK Q06187 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP1 Q9P0U3 1/20 0.41

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
SCHEMBL4412676 0.91 RAF1 (0.42) FFAR1MEN1KMT2AALDH1A1MAPK14
SCHEMBL4417419 0.90 GLA (0.48) KMT2ARAF1BRAF
SCHEMBL4551203 0.88 CYP1A2 (0.45) RAF1BRAFNPC1CYP1A2CYP2C19
SCHEMBL4408307 0.88 RAF1 (0.42) RAF1BRAF
SCHEMBL4565699 0.88 BRAF (0.45) MEN1KMT2AMAPK14RAF1BRAF
SCHEMBL4565727 0.88 NR1H4 (0.48) NR1H4MAPK14RAF1BRAF
SCHEMBL4565578 0.88 RAF1 (0.46) RAF1BRAF
SCHEMBL4413519 0.87 HSP90AA1 (0.49) MEN1KMT2AALDH1A1RAF1BRAF
SCHEMBL4565554 0.87 BRAF (0.47) RAF1BRAF
SCHEMBL4407858 0.87 RAF1 (0.55) 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 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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed