SCHEMBL7209657

SCHEMBL7209657

CCc1cc2c(c3ccccc13)Nc1ccc(N(CC)CC)cc1O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.35
ALDH1A1 P00352 9/20 0.35
L3MBTL1 Q9Y468 6/20 0.35
TP53 P04637 4/20 0.35
HTT P42858 4/20 0.35
MAPK1 P28482 3/20 0.35
USP2 O75604 2/20 0.35
HSD17B10 Q99714 5/20 0.35
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA3 P07451 4/20 0.34
CA4 P22748 4/20 0.34
CA6 P23280 4/20 0.34
CA5A P35218 4/20 0.34
CA7 P43166 4/20 0.34
CA9 Q16790 4/20 0.34
CA13 Q8N1Q1 4/20 0.34
CA14 Q9ULX7 4/20 0.34
CA5B Q9Y2D0 4/20 0.34

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
SCHEMBL1347821 0.85 S100B (0.38) MAPTALDH1A1L3MBTL1TP53HTT
SCHEMBL4934602 0.82 MAPT (0.35) MAPTALDH1A1L3MBTL1TP53HTT
SCHEMBL20497202 0.81 CYP1A2 (0.37) MAPTALDH1A1L3MBTL1TP53HTT
Hydrochloric Acid SCHEMBL498441 0.81 MAPT (0.35) MAPTALDH1A1L3MBTL1TP53HTT
Perchlorate SCHEMBL10363409 0.80 S100B (0.34) MAPTALDH1A1L3MBTL1TP53HTT
SCHEMBL11298623 0.79 CDK2 (0.37) MAPTALDH1A1L3MBTL1TP53HTT
SCHEMBL29895860 0.78 ALDH1A1 (0.44) MAPTALDH1A1L3MBTL1TP53HTT
SCHEMBL80727 0.78 ALDH1A1 (0.44) MAPTALDH1A1L3MBTL1TP53HTT
SCHEMBL8926029 0.74 MAOB (0.48) MAPTALDH1A1L3MBTL1TP53HSD17B10
SCHEMBL17847418 0.74 ALDH1A1 (0.33) MAPTALDH1A1L3MBTL1TP53HTT

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-0910365-B1 GROWTH INHIBITION AND ERADICATION OF SOLID TUMORS USING A PROLACTIN MODULATOR AND A PHOTOSENSITIZER GEN HOSPITAL CORP (US) 2003-06-25 EP disclosed