SCHEMBL10360682

SCHEMBL10360682

CC(Oc1ncn(-c2cccc(Cl)c2)n1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
PKM P14618 1/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
NOTUM Q6P988 2/20 0.39
OGG1 O15527 1/20 0.39
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
BRCA1 P38398 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL10361134 0.89 MAPT (0.45) MAPTTSHRHTR2APKMPOLB
SCHEMBL10361078 0.88 PKM (0.40) MAPTTSHRPKMPOLBALDH1A1
SCHEMBL10360673 0.88 MEN1 (0.44) MAPTPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL10360745 0.87 TSHR (0.40) MAPTTSHRHTR2AHTR2CHTR2B
SCHEMBL10360305 0.87 KMT2A (0.45) MAPTTSHRPKMPOLBALDH1A1
SCHEMBL10361312 0.87 MAPT (0.56) MAPTPKMPOLBALDH1A1KDM4E
SCHEMBL10360437 0.86 MAPT (0.42) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL10361364 0.86 MAPT (0.42) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL10361140 0.86 TSHR (0.45) MAPTTSHRPKMPOLBALDH1A1
SCHEMBL10360696 0.86 MAPT (0.43) MAPTTSHRHTR2AHTR2CHTR2B

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
US-4931083-A Plant growth regulating triazoles ELI LILLY AND COMPANY (US) 1990-06-05 US disclosed
EP-0227284-A1 Plant Growth regulating triazoles ELI LILLY AND COMPANY (US) 1987-07-01 EP disclosed