SCHEMBL8909605

SCHEMBL8909605

c1c[nH]c(Cc2cc3ccccc3o2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.51
▸ AGXT P21549 1/20 0.47
▸ ADRA2A P08913 2/20 0.41
▸ HTR2B P41595 3/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ SLC5A2 P31639 1/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ CYP2A6 P11509 2/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14075637 0.80 LOXL2 (0.69) LOXL2AGXTADRA2AHTR2BHTR1A
SCHEMBL4612712 0.78 CYP11B1 (0.56) CYP19A1SMN1; SMN2KDM4E
SCHEMBL6427450 0.73 TAAR1 (0.54) LOXL2AGXTADRA2AHTR2BHTR1A
SCHEMBL7806512 0.73 LOXL2 (0.60) LOXL2AGXTHTR2BHTR1ACYP19A1
Dimethylamine SCHEMBL25351475 0.72 LOXL2 (0.58) LOXL2AGXTADRA2AHTR2BHTR1A
SCHEMBL26445730 0.69 LOXL2 (0.55) LOXL2AGXTHTR2BHTR1ASLC5A2
SCHEMBL11107879 0.69 LOXL2 (0.55) LOXL2AGXTHTR2BHTR1ASMN1; SMN2
SCHEMBL920529 0.69 LOXL2 (0.50) LOXL2AGXTADRA2AHTR2BHTR1A
SCHEMBL1680581 0.69 LOXL2 (0.50) LOXL2AGXTADRA2AHTR2BHTR1A
SCHEMBL118929 0.69 LOXL2 (0.64) LOXL2AGXTADRA2AHTR2BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679694-A LOW TOXICITY AGAINST NORMAL CELL LINES THE WELLCOME FOUNDATION LTD. (GB) 1997-10-21 — — US disclosed
EP-0651750-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-10 — — EP disclosed
WO-1994002483-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-03 — — WO disclosed
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