SCHEMBL13071044

SCHEMBL13071044

CCC(C)c1nc2ccc(-c3ccc4cc(-c5ccc6nc(C)[nH]c6c5)ccc4c3)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.53
SCN10A Q9Y5Y9 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
HCRTR1 O43613 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 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
SCHEMBL13464785 0.86 KDM4E (0.56) AAK1SCN10AMEN1KMT2ANPC1
SCHEMBL2756682 0.83 RAB9A (0.61) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL18462650 0.80 AAK1 (0.52) AAK1SCN10AMEN1KMT2AHTT
SCHEMBL26427165 0.79 CYP1A2 (0.67) AAK1SCN10AMEN1KMT2ANPC1
SCHEMBL2705606 0.78 KDM4E (0.65) AAK1SCN10AALDH1A1KDM4EHTT
SCHEMBL15463298 0.78 KMT2A (0.50) AAK1MEN1KMT2ANPC1RAB9A
SCHEMBL2457137 0.78 RAB9A (0.67) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL9263421 0.76 KDM4E (0.71) AAK1SCN10AMEN1KMT2ANPC1
SCHEMBL21609998 0.76 SCN10A (0.60) SCN10AMEN1KMT2ANPC1RAB9A
SCHEMBL18462597 0.75 KDM4E (0.52) AAK1MEN1KMT2AKDM4EGAA

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-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed