SCHEMBL2496462

SCHEMBL2496462

CCOC(=O)c1cc2cc(Cl)cc(CC)c2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.57
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL3253372 0.88 ALOX15 (0.51) ALOX15CDK1CCNB1KDM4EALDH1A1
SCHEMBL2452679 0.87 ALOX15 (0.50) ALOX15CDK1CCNB1KDM4EALDH1A1
SCHEMBL4396474 0.87 ALOX15 (0.58) ALOX15CDK1CCNB1KDM4EALDH1A1
SCHEMBL2452663 0.87 ALOX15 (0.58) ALOX15CDK1CCNB1KDM4EALDH1A1
SCHEMBL30457751 0.87 ALOX15 (0.58) ALOX15CDK1CCNB1KDM4EALDH1A1
SCHEMBL16486363 0.84 ALOX15 (0.56) ALOX15CDK1CCNB1KDM4EALDH1A1
SCHEMBL8349472 0.84 ALOX15 (0.56) ALOX15CDK1CCNB1KDM4EALDH1A1
SCHEMBL15564004 0.84 ALOX15 (0.56) ALOX15CDK1CCNB1KDM4EALDH1A1
SCHEMBL3253826 0.82 HRH4 (0.50) ALOX15CDK1CCNB1ALDH1A1KMT2A
SCHEMBL2452832 0.81 ALOX15 (0.45) ALOX15CDK1CCNB1KDM4EALDH1A1

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
EP-2102186-B1 INDOLES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed