SCHEMBL11080609

SCHEMBL11080609

Clc1cccc(Sc2ncccn2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 3/20 0.65
KMT2A Q03164 3/20 0.65
HPGD P15428 3/20 0.65
MEN1 O00255 2/20 0.65
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GRM5 P41594 1/20 0.51
FBP1 P09467 1/20 0.47
DHFR P00374 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.44
PPP1CA P62136 1/20 0.44
POLB P06746 2/20 0.42
RHEB Q15382 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL2282611 0.80 POLB (0.56) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL30688805 0.80 POLB (0.56) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL29543630 0.80 POLB (0.56) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL10596007 0.78 POLB (0.55) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL190886 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL10394650 0.77 L3MBTL1 (0.62) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL9377350 0.77 KDM4E (0.49) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL10708413 0.76 POLB (0.62) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL6136932 0.75 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL3282084 0.74 POLB (0.56) ALDH1A1KDM4EKMT2AHPGDMEN1

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-4427437-A PLANT GROWTH REGULATORS ICI AUSTRALIA LIMITED (AU) 1984-01-24 US disclosed
EP-0001187-A1 2-phenoxy-pyrimidines and their use as pesticides ICI AUSTRALIA LIMITED (AU) 1979-03-21 EP disclosed