SCHEMBL29024932

SCHEMBL29024932

O=C(Nc1ccc2ncccc2c1)c1cc(Cl)ccc1O

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.80
RAB9A P51151 5/20 0.80
HTT P42858 1/20 0.80
TMPRSS4 Q9NRS4 5/20 0.72
KDR P35968 1/20 0.62
P2RX1 P51575 5/20 0.60
KCNMA1 Q12791 3/20 0.60
P2RX4 Q99571 2/20 0.60
P2RX7 Q99572 2/20 0.60
PABPC1 P11940 1/20 0.60
POLB P06746 2/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54

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
SCHEMBL30503661 1.00 NPC1 (0.80) NPC1RAB9AHTTTMPRSS4KDR
SCHEMBL30503656 0.91 NPC1 (0.67) NPC1RAB9AHTTTMPRSS4KDR
SCHEMBL29024717 0.91 NPC1 (0.67) NPC1RAB9AHTTTMPRSS4KDR
SCHEMBL30503637 0.88 NPC1 (0.64) NPC1RAB9AHTTTMPRSS4PABPC1
SCHEMBL29024742 0.88 NPC1 (0.64) NPC1RAB9AHTTTMPRSS4PABPC1
SCHEMBL29024923 0.87 NPC1 (0.78) NPC1RAB9AHTTTMPRSS4PABPC1
SCHEMBL30503665 0.87 NPC1 (0.78) NPC1RAB9AHTTTMPRSS4PABPC1
SCHEMBL29024752 0.87 NPC1 (0.78) NPC1RAB9AHTTTMPRSS4PABPC1
SCHEMBL30503666 0.87 NPC1 (0.78) NPC1RAB9AHTTTMPRSS4PABPC1
SCHEMBL17770404 0.86 P2RX1 (0.68) NPC1RAB9AHTTTMPRSS4P2RX1

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-116354879-A Benzamide derivative and application thereof 中国药科大学 2023-06-30 CN disclosed