SCHEMBL9644231

SCHEMBL9644231

N#C/C(=C\c1ccc(O)cc1)C(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.58
MEN1 O00255 6/20 0.58
ALDH1A1 P00352 9/20 0.54
MAPT P10636 8/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 4/20 0.53
POLB P06746 2/20 0.53
HPGD P15428 3/20 0.49
CYP3A4 P08684 2/20 0.49
CISD1 Q9NZ45 1/20 0.49
SLC16A3 O15427 1/20 0.49
SLC16A1 P53985 1/20 0.49
GPR35 Q9HC97 1/20 0.49
PRKDC P78527 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
MITF O75030 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL8965228 1.00 KMT2A (0.58) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9644237 1.00 KMT2A (0.58) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8965194 0.89 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17120618 0.81 MEN1 (0.65) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12306023 0.79 MEN1 (0.62) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9642823 0.76 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8965231 0.76 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9642832 0.76 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12435542 0.75 ALDH1A1 (0.80) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL1009547 0.74 KMT2A (1.00) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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
US-5110706-A Photoresists for highly reflective substrates JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-05-05 US disclosed