SCHEMBL27396359

SCHEMBL27396359

CNc1nc2cc(Cl)c(Cl)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
IDO1 P14902 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
FSCN1 Q16658 2/20 0.41
DYRK1A Q13627 1/20 0.41
NPY1R P25929 2/20 0.39
HPGD P15428 3/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL4501668 0.86 LDHA (0.53) LDHANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4510083 0.84 NPC1 (0.52) LDHANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL29858587 0.78 IDO1 (0.70) LDHANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12393158 0.78 MEN1 (0.70) LDHANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3408807 0.78 IDO1 (0.70) LDHANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL27400144 0.78 NPY1R (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL25911667 0.77 LDHA (0.43) LDHANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL21766276 0.76 SMN1; SMN2 (0.56) LDHANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL20181125 0.74 SMN1; SMN2 (0.55) LDHANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4511805 0.74 POLB (0.45) LDHANPC1RAB9ASMN1; SMN2KMT2A

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-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 WO disclosed