SCHEMBL24375628

SCHEMBL24375628

COc1ccc(NCC(C)C(=N)C(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 1/20 0.41
PABPC1 P11940 5/20 0.40
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8348534 0.81 KMT2A (0.49) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL2269175 0.77 KMT2A (0.49) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL8349276 0.72 KMT2A (0.53) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL4574251 0.71 KMT2A (0.53) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL6269870 0.69 KMT2A (0.55) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL12933403 0.69 KMT2A (0.50) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL9350553 0.69 KMT2A (0.68) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL6644838 0.69 KMT2A (0.57) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL6640610 0.69 KMT2A (0.57) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL5100534 0.69 KMT2A (0.49) KMT2AMEN1KDM4EMAPTALDH1A1

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-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed