SCHEMBL4420145

SCHEMBL4420145

Cc1ccc(NC(=O)c2cc(CN3C[C@@H](C)N[C@@H](C)C3)cc(C(C)(C)C)c2)cc1-c1cc(C(=O)NCC2CCCO2)on1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
RAF1 P04049 3/20 0.40
BRAF P15056 3/20 0.40
TEK Q02763 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CSF1R P07333 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 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
SCHEMBL5603893 0.91 RAB9A (0.46) RAB9ANPC1RAF1BRAFALDH1A1
SCHEMBL5592999 0.90 RAB9A (0.47) RAB9ANPC1RAF1BRAFTEK
SCHEMBL14473337 0.90 RAB9A (0.46) RAB9ANPC1RAF1BRAFTEK
SCHEMBL5622327 0.90 RAF1 (0.48) RAB9ANPC1RAF1BRAFTEK
SCHEMBL14473326 0.84 RAB9A (0.51) RAB9ANPC1RAF1BRAFTAAR1
SCHEMBL5593020 0.83 RAB9A (0.49) RAB9ANPC1RAF1BRAFTEK
SCHEMBL14473113 0.82 TEK (0.41) RAB9ANPC1RAF1BRAFTEK
SCHEMBL4417623 0.79 TEK (0.51) RAF1BRAFTEKCSF1R
SCHEMBL4417393 0.79 TEK (0.50) RAF1BRAFTEKLMNACSF1R
SCHEMBL4565686 0.78 RAF1 (0.51) RAF1BRAFTEKCSF1R

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