SCHEMBL20041007

SCHEMBL20041007

CONc1ccc(Oc2cc(F)ccc2F)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HSPB1 P04792 1/20 0.42
SCN9A Q15858 4/20 0.41
SCN5A Q14524 3/20 0.41
ABCB11 O95342 1/20 0.39
CYP2C9 P11712 1/20 0.39
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
AXL P30530 2/20 0.39
MERTK Q12866 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL20041026 0.85 KMT2A (0.59) KDM4EKMT2AMEN1HSPB1LMNA
SCHEMBL16792729 0.82 MEN1 (0.48) KDM4EKMT2AMEN1HSPB1SCN9A
SCHEMBL16792509 0.80 KMT2A (0.46) KDM4EKMT2AMEN1SCN9ASMN1; SMN2
SCHEMBL18181837 0.79 MEN1 (0.46) KDM4EKMT2AMEN1HSPB1
SCHEMBL16792569 0.76 MEN1 (0.71) KDM4EKMT2AMEN1HSPB1RAB9A
SCHEMBL17244757 0.76 LMNA (0.49) KDM4EKMT2AAXLSMN1; SMN2NPC1
SCHEMBL27300363 0.72 ALOX5AP (0.55) KDM4EKMT2AMEN1HSPB1
SCHEMBL21902136 0.72 ALDH1A1 (0.64) KDM4EKMT2AMEN1HSPB1P2RX3
SCHEMBL27300366 0.72 MEN1 (0.47) KDM4EKMT2AMEN1HSPB1P2RX3
SCHEMBL16792611 0.72 MEN1 (0.43) KDM4EKMT2AMEN1HSPB1SCN9A

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-3080099-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-11 EP disclosed