SCHEMBL2868955

SCHEMBL2868955

CC(C)CC(CCl)c1nc2cc(CNC(=O)O)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PRCP P42785 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
AAK1 Q2M2I8 4/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35

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
SCHEMBL2866759 0.90 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EPRCPKMT2A
SCHEMBL17675682 0.86 AAK1 (0.44) MAPTKDM4EAAK1NPSR1TDP1
Hydrochloric Acid SCHEMBL17416399 0.79 KMT2A (0.33) ALDH1A1MAPTKDM4EPRCPKMT2A
SCHEMBL2869957 0.73 AADAT (0.35) SMN1; SMN2
SCHEMBL2872640 0.72 MMP1 (0.36) AAK1MMP1MMP3MMP7
SCHEMBL2873832 0.72 SCN10A (0.40) KDM4EPRCPAAK1TAAR1LMNA
SCHEMBL15158071 0.69 PRCP (0.48) ALDH1A1MAPTKDM4EPRCPKMT2A
SCHEMBL4240617 0.67 KMT2A (0.49) MAPTKDM4EKMT2ASMN1; SMN2GAA
SCHEMBL17493898 0.66 AAK1 (0.59) ALDH1A1KMT2AAAK1MMP1MMP3
SCHEMBL16720727 0.65 MAPT (0.81) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2

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-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 WO disclosed