SCHEMBL5592999

SCHEMBL5592999

Cc1ccc(NC(=O)c2cc(CN3CCCCC3)cc(C(C)(C)C)c2)cc1-c1cc(C(=O)NCC2CCCO2)on1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
TEK Q02763 2/20 0.47
RAF1 P04049 4/20 0.43
BRAF P15056 4/20 0.43
CSF1R P07333 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5622327 0.95 RAF1 (0.48) RAB9ANPC1TEKRAF1BRAF
SCHEMBL14473337 0.94 RAB9A (0.46) RAB9ANPC1TEKRAF1BRAF
SCHEMBL4420145 0.90 RAB9A (0.45) RAB9ANPC1TEKRAF1BRAF
SCHEMBL4417393 0.88 TEK (0.50) TEKRAF1BRAFCSF1RLMNA
SCHEMBL4417623 0.88 TEK (0.51) TEKRAF1BRAFCSF1R
SCHEMBL14473113 0.87 TEK (0.41) RAB9ANPC1TEKRAF1BRAF
SCHEMBL14473326 0.87 RAB9A (0.51) RAB9ANPC1RAF1BRAFALDH1A1
SCHEMBL14473153 0.86 TEK (0.53) RAB9ATEKRAF1BRAFCSF1R
SCHEMBL5593020 0.85 RAB9A (0.49) RAB9ANPC1TEKRAF1BRAF
SCHEMBL4412491 0.83 TEK (0.57) TEKRAF1BRAFCSF1RALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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