SCHEMBL27697491

SCHEMBL27697491

O=C(c1ccc(-c2ccccc2)cc1)c1c[nH]nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.46
ATM Q13315 1/20 0.46
RAB9A P51151 5/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PTPN1 P18031 1/20 0.40
GSK3B P49841 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL947216 0.90 KMT2A (0.48) ATMRAB9AMAPTKMT2AMEN1
Bicarbonate SCHEMBL15511345 0.88 KMT2A (0.47) ATMRAB9AMAPTKMT2AMEN1
SCHEMBL27717747 0.79 LTA4H (0.47) RAB9AMAPTLMNASMN1; SMN2MAPK1
SCHEMBL2892472 0.79 ALDH1A1 (0.52) ATMRAB9AMAPTKMT2AMEN1
SCHEMBL27697586 0.77 NPSR1 (0.54) RAB9AMAPTKMT2AMEN1LMNA
SCHEMBL27717744 0.75 SRD5A2 (0.50) RAB9ANPC1PTPN1GSK3B
Hydrogen Sulfide SCHEMBL11219494 0.73
SCHEMBL232724 0.73 RAB9A (0.74) CDC25BATMRAB9AMAPTKMT2A
SCHEMBL10755131 0.72 ADH5 (0.32) MAPT
SCHEMBL11509763 0.72 RXFP1 (0.42) RAB9AMAPTKMT2AMEN1LMNA

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
CN-101153041-B 1,2,3-triazole 1,3-nitrogen heterocyclic compound, producing method and application of the same CHINESE ACAD INST CHEMISTRY 2010-05-12 CN disclosed
CN-101153041-A 1,2,3-triazole 1,3-nitrogen heterocyclic, producing method and application of the same CHINESE ACAD INST CHEMISTRY (CN) 2008-04-02 CN disclosed