SCHEMBL30848255

SCHEMBL30848255

COc1ccc(F)cc1Cc1ccc2[nH]cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.48
PKM P14618 1/20 0.41
QPCT Q16769 7/20 0.40
POLB P06746 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NTRK1 P04629 2/20 0.39
DRD2 P14416 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP12 P39900 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
QPCTL Q9NXS2 2/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL29172092 1.00 PDE10A (0.48) PDE10APKMQPCTPOLBHPGD
SCHEMBL28195437 0.75 QPCTL (0.46) NTRK1QPCTL
SCHEMBL16790402 0.75 PDE10A (0.83) PDE10A
Hydrochloric Acid SCHEMBL16765653 0.74 PDE10A (0.82) PDE10A
SCHEMBL903276 0.73 PARP1 (0.52) QPCTPOLBSMN1; SMN2TDP1MMP12
Methylethylamine SCHEMBL4914029 0.72 PARP1 (0.41) QPCTPOLBSMN1; SMN2TDP1MMP12
SCHEMBL4625651 0.72 SLC6A4 (0.49) PKMPOLBHPGDMEN1ALDH1A1
SCHEMBL15825217 0.71 MMP12 (0.45) PDE10AQPCTDRD2TDP1MMP12
SCHEMBL8668924 0.71 QPCT (0.46) PDE10AQPCTPOLBHPGDSMN1; SMN2
SCHEMBL2542320 0.70 QPCT (0.46) QPCT

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-117720472-A Benzimidazole compound, and preparation method and application thereof 苏州沪云新药研发股份有限公司 2024-03-19 CN disclosed