SCHEMBL6187845

SCHEMBL6187845

CSc1cccc(C(C)=O)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RX7 Q99572 1/20 0.38
LMNA P02545 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
CYP1A2 P05177 2/20 0.36
GRM5 P41594 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
CNR2 P34972 1/20 0.35
ENPP2 Q13822 1/20 0.34
THRB P10828 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL17489048 0.84 KDM4E (0.61) TSHRKDM4EALOX15ACMSDTDP1
SCHEMBL19880446 0.82 PIM1 (0.43) ALDH1A1TSHRKDM4EALOX15ACMSD
SCHEMBL455687 0.80 KDM4E (0.59) ALDH1A1TSHRKDM4EALOX15ACMSD
SCHEMBL9364954 0.80 HSP90AA1 (0.32) TSHRKDM4EALOX15ACMSDTDP1
SCHEMBL12125682 0.79 FFAR4 (0.41) ALDH1A1TSHRKDM4EALOX15ACMSD
SCHEMBL20049344 0.79 MAPT (0.49) ALDH1A1TSHRKDM4ECYP1A2GRM5
SCHEMBL14733165 0.79 IRAK4 (0.35) ALDH1A1P2RX7IRAK4
SCHEMBL6641842 0.78 KDM4E (0.56) ALDH1A1TSHRKDM4EALOX15ACMSD
SCHEMBL247491 0.77 P2RX7 (0.60) ALDH1A1TSHRKDM4EALOX15ACMSD
SCHEMBL29590328 0.77 P2RX7 (0.60) ALDH1A1TSHRKDM4EALOX15ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572655-A2 NOVEL ARYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2002090332-A2 NOVEL AEYLHETEROALKYLAMINΕ DERIVATIVES ASTRAZENECA AB (SE) 2002-11-14 WO disclosed