SCHEMBL20008495

SCHEMBL20008495

C=CCC/C=C(\C=C(/C)NO)c1cc(C)ccc1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL16956618 0.64 MEN1 (0.42) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL23654930 0.63 MEN1 (0.36) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL8154014 0.61 MEN1 (0.46) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL16959282 0.60 MEN1 (0.48) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL22856978 0.60 MEN1 (0.39) MEN1KMT2AHPGDSMN1; SMN2TSHR
SCHEMBL20009422 0.60 MEN1 (0.33) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL16119884 0.60 MEN1 (0.33) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL19346364 0.60 MEN1 (0.44) MEN1KMT2APOLBSMN1; SMN2TSHR
SCHEMBL7734929 0.59 TAAR1 (0.57) MEN1KMT2AHPGDPOLB
SCHEMBL13518614 0.59 MEN1 (0.49) MEN1KMT2AHPGDSMN1; SMN2TSHR

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed