SCHEMBL17825313

SCHEMBL17825313

Cc1ccc(Cn2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
LMNA P02545 3/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 1/20 0.42
P2RY14 Q15391 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MMP13 P45452 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL17834016 0.91 RAB9A (0.48) RAB9ANPC1LMNATSHRMAPK1
SCHEMBL17834018 0.88 KMT2A (0.56) RAB9ANPC1LMNATSHRMAPK1
SCHEMBL17834021 0.87 KMT2A (0.58) RAB9ANPC1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL17834027 0.87 LMNA (0.53) RAB9ANPC1LMNATSHRMAPK1
SCHEMBL17834026 0.87 RAB9A (0.61) RAB9ANPC1LMNAL3MBTL1KMT2A
SCHEMBL17834017 0.86 NPC1 (0.58) RAB9ANPC1LMNATSHRL3MBTL1
SCHEMBL17834025 0.86 CYP19A1 (0.44) RAB9ANPC1LMNATSHRMAPK1
SCHEMBL17834019 0.85 ESR1 (0.47) RAB9ANPC1LMNATSHRMAPK1
SCHEMBL17834022 0.84 KMT2A (0.47) RAB9ANPC1TSHRL3MBTL1KMT2A
SCHEMBL17825079 0.81 RAB9A (0.48) RAB9ANPC1LMNAL3MBTL1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016091228-A1 SUBSTITUTED PHENYLTETRAZOLE, ITS USE AND PHARMACEUTICAL PREPARATION CONTAINING IT UNIVERZITA KARLOVA V PRAZE (CZ) 2016-06-16 WO disclosed
WO-2016091228-A1 SUBSTITUTED PHENYLTETRAZOLE, ITS USE AND PHARMACEUTICAL PREPARATION CONTAINING IT UNIVERZITA KARLOVA V PRAZE (CZ) 2016-06-16 WO disclosed