SCHEMBL5604188

SCHEMBL5604188

COc1ccc(C(C)(C)C)cc1Nc1ccc(C)c(-c2cc(C(=O)NCC3CCCO3)on2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
HPGD P15428 4/20 0.43
KMT2A Q03164 2/20 0.43
ROCK2 O75116 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL4409369 0.89 RAB9A (0.51) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL5602348 0.84 HTT (0.41) KDM4ELMNATSHR
SCHEMBL4420133 0.78 RAB9A (0.48) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL4415213 0.78 RAF1 (0.45) RAB9ANPC1KMT2AMEN1
SCHEMBL14473326 0.78 RAB9A (0.51) RAB9ANPC1ALDH1A1LMNAALOX12
SCHEMBL5602271 0.77 HTT (0.43) ALDH1A1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL5603893 0.76 RAB9A (0.46) RAB9ANPC1ALDH1A1LMNAALOX12
SCHEMBL14473330 0.76 KDM4E (0.47) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL5593020 0.76 RAB9A (0.49) RAB9ANPC1ALDH1A1LMNAALOX12
SCHEMBL5593473 0.76 RAB9A (0.66) RAB9ANPC1KDM4EALDH1A1LMNA

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