SCHEMBL30767271

SCHEMBL30767271

Clc1ccc(Cl)c(-c2cnccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
PIEZO1 Q92508 1/20 0.46
NPY5R Q15761 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2B P41595 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ADORA2A P29274 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN11 Q06124 1/20 0.40
CNR2 P34972 1/20 0.39
P2RX7 Q99572 1/20 0.39
AGPAT2 O15120 1/20 0.39

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
SCHEMBL3948151 1.00 IDO1 (0.50) IDO1PIEZO1NPY5RRAB9ANPC1
SCHEMBL6074928 0.85 RAB9A (0.48) PIEZO1RAB9ANPC1PKMMEN1
SCHEMBL29712865 0.82 NPY5R (0.44) IDO1PIEZO1NPY5RRAB9ANPC1
SCHEMBL28627415 0.82 NPY5R (0.44) IDO1PIEZO1NPY5RRAB9ANPC1
SCHEMBL16574222 0.82 IDO1 (0.53) IDO1PIEZO1RAB9ANPC1PKM
SCHEMBL27604626 0.80 RAB9A (0.42) IDO1PIEZO1RAB9ANPC1PKM
SCHEMBL17295714 0.79 RAB9A (0.44) PIEZO1NPY5RRAB9ANPC1PKM
SCHEMBL5406690 0.79 NOTUM (0.41) IDO1PIEZO1RAB9ANPC1PKM
SCHEMBL5506156 0.78 SCN2A (0.42) PIEZO1NPY5RRAB9ANPC1PKM
SCHEMBL28631804 0.77 IDO1 (0.40) IDO1PIEZO1RAB9AMEN1KMT2A

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-117323926-A Gas treatment material and preparation method thereof 蚌埠市天星树脂有限责任公司 2024-01-02 CN disclosed