SCHEMBL27708352

SCHEMBL27708352

CCCCn1cc(NC(=O)Nc2ccc(Cl)cc2CN)nc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
GRIK1 P39086 1/20 0.35
ATM Q13315 2/20 0.34
HTT P42858 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
PRKCA P17252 3/20 0.34
POLB P06746 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
TP53 P04637 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL1595904 0.87 MAPT (0.42) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL27688542 0.83 F11 (0.35) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL28770423 0.81 GRIK1 (0.42) MAPTGRIK1POLB
SCHEMBL2569122 0.75 MAPT (0.40) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL2568640 0.74 MAPT (0.39) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2572024 0.73 P2RX7 (0.48) MAPTRAB9ASMN1; SMN2LMNAGRIK1
SCHEMBL2565935 0.72 ALOX5 (0.41) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13197808 0.72 SLC6A3 (0.37) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL1594449 0.71 MEN1 (0.41) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2572465 0.71 MAPK1 (0.39) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1

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
CN-101128455-A Heterocyclylamide-substituted imidazoles BAYER HEALTHCARE AG (DE) 2008-02-20 CN disclosed