SCHEMBL9257004

SCHEMBL9257004

O=c1cc(O)c2cc(O)ccc2n1Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.76
KDM4E B2RXH2 5/20 0.76
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
MAPT P10636 3/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
GAA P10253 3/20 0.54
PKM P14618 2/20 0.54
PLA2G2A P14555 6/20 0.53
LMNA P02545 1/20 0.52
SRC P12931 2/20 0.50
P2RX4 Q99571 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL9270554 0.87 ALDH1A1 (0.74) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL1523842 0.86 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8358470 0.86 KMT2A (0.72) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9259645 0.84 MEN1 (0.65) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL14692035 0.79 ALDH1A1 (0.70) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6533189 0.78 ALDH1A1 (0.83) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9272108 0.78 ALDH1A1 (0.74) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9161052 0.78 KMT2A (0.52) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9158213 0.77 MEN1 (0.72) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7723992 0.75 SRC (0.53) ALDH1A1KDM4EMEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5382572-A Viricides SCHERING CORPORATION (US) 1995-01-17 US disclosed
US-5378694-A Herpes viricide, hypotensive agent SCHERING CORPORATION (US) 1995-01-03 US disclosed