SCHEMBL31238176

SCHEMBL31238176

C/C(=N\Nc1ccc2ccccc2n1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 3/20 1.00
SMN1; SMN2 Q16637 4/20 0.61
CCR6 P51684 2/20 0.61
CXCR5 P32302 1/20 0.61
APLNR P35414 1/20 0.61
LRRK2 Q5S007 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 6/20 0.57
NPC1 O15118 2/20 0.57
KDM4E B2RXH2 4/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
GAA P10253 2/20 0.56
RAB9A P51151 2/20 0.56
HTT P42858 2/20 0.56

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
SCHEMBL17987877 1.00 PAX8 (1.00) PAX8SMN1; SMN2CCR6CXCR5APLNR
SCHEMBL31307165 0.82 PAX8 (0.69) PAX8SMN1; SMN2CCR6CXCR5APLNR
SCHEMBL19456445 0.82 PAX8 (0.69) PAX8SMN1; SMN2CCR6CXCR5APLNR
SCHEMBL4916024 0.81 PAX8 (0.68) PAX8SMN1; SMN2CCR6CXCR5APLNR
SCHEMBL12706320 0.81 PAX8 (0.68) PAX8SMN1; SMN2CCR6CXCR5APLNR
SCHEMBL6715790 0.81 PAX8 (0.67) PAX8SMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL20101085 0.81 PAX8 (0.67) PAX8SMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL6715793 0.81 PAX8 (0.67) PAX8SMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL20101097 0.80 CCR6 (0.68) PAX8SMN1; SMN2CCR6CXCR5APLNR
SCHEMBL20101022 0.79 PAX8 (0.65) PAX8SMN1; SMN2KMT2ANPC1KDM4E

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
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO disclosed