SCHEMBL28538501

SCHEMBL28538501

C=CCOc1cc(C)nc(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 4/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NUDT1 P36639 2/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL8895201 0.80 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL11170200 0.79 NUDT1 (0.58) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL444198 0.78 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL19510817 0.75 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL19510888 0.74 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL19510651 0.74 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL19510821 0.72 ALDH1A1 (0.49) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL18689631 0.72 ALDH1A1 (0.45) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL2131428 0.71 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL19510653 0.71 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1HTTKDM4E

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
CN-112553903-A Baby kit prepared from ecological organic colored cotton 吉祥三宝高科纺织有限公司 2021-03-26 CN disclosed