SCHEMBL7708505

SCHEMBL7708505

Cc1cc(C(=O)c2ccccc2)c2ccccc2c1OCC(O)CN1CCN(c2ccccn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
POLB P06746 2/20 0.64
MAPT P10636 4/20 0.57
LMNA P02545 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 2/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
ABCB1 P08183 5/20 0.51

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
SCHEMBL7991954 0.86 ALDH1A1 (0.64) ALDH1A1MEN1KMT2APOLBMAPT
Hydrochloric Acid SCHEMBL7711654 0.85 ALDH1A1 (0.66) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL7708368 0.84 ALDH1A1 (0.74) ALDH1A1MEN1KMT2APOLBMAPT
Hydrochloric Acid SCHEMBL7708492 0.83 ALDH1A1 (0.76) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL7983784 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2APOLBMAPT
Hydrochloric Acid SCHEMBL7705039 0.79 ALDH1A1 (0.66) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL7713493 0.77 MEN1 (0.52) ALDH1A1MEN1KMT2APOLBMAPT
Hydrochloric Acid SCHEMBL7711332 0.77 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL7711544 0.75 ALDH1A1 (0.71) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL7705073 0.75 ALDH1A1 (0.59) ALDH1A1MEN1KMT2APOLBMAPT

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