SCHEMBL7705073

SCHEMBL7705073

Cc1cc(O)c2ccccc2c1OCC(O)CN1CCN(c2ncccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
POLB P06746 2/20 0.57
KDM4E B2RXH2 3/20 0.56
MAPK1 P28482 3/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 8/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
Hydrochloric Acid SCHEMBL7711386 0.99 ALDH1A1 (0.61) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL7708368 0.90 ALDH1A1 (0.74) ALDH1A1MEN1KMT2APOLBKDM4E
Hydrochloric Acid SCHEMBL7708492 0.89 ALDH1A1 (0.76) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL7711449 0.86 ABCB1 (0.58)
SCHEMBL7708513 0.86 MAPT (0.53) ALDH1A1MEN1KMT2APOLBKDM4E
Hydrochloric Acid SCHEMBL7705089 0.85 MAPT (0.55) ALDH1A1MEN1KMT2AKDM4EMAPK1
Hydrochloric Acid SCHEMBL7708545 0.85 GAA (0.57) ALDH1A1MAPK1GAAMAPT
SCHEMBL7987892 0.83 MAPT (0.69) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL7713493 0.82 MEN1 (0.52) ALDH1A1MEN1KMT2APOLBKDM4E
Hydrochloric Acid SCHEMBL7708335 0.82 MAPT (0.71) ALDH1A1MEN1KMT2AKDM4EMAPK1

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-6358515-B2 ANTIHYPERTENSIVE PHARMACEUTICAL COMPOSITION; TREATMENT OF GLAUCOMA SENJU PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US claimed