SCHEMBL6587779

SCHEMBL6587779

[c]1ccc2[nH]c(Cc3ccccc3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.41
ADORA1 P30542 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
AHR P35869 1/20 0.39
IMPDH2 P12268 1/20 0.38
PARP1 P09874 1/20 0.37
DAO P14920 1/20 0.37

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
SCHEMBL693232 0.84 HRH4 (0.40) F2SMN1; SMN2ADORA1LOXL2AHR
SCHEMBL6620032 0.83 DAO (0.43) F2DAO
SCHEMBL694101 0.82 HRH4 (0.47) F2
SCHEMBL3193871 0.80 LOXL2 (0.60) F2LOXL2AHR
SCHEMBL30105384 0.80 LOXL2 (0.60) F2LOXL2AHR
Bromide SCHEMBL30437340 0.79 LOXL2 (0.58) F2LOXL2AHR
Hydrochloric Acid SCHEMBL27754931 0.79 LOXL2 (0.58) F2LOXL2AHR
SCHEMBL6616428 0.77 HRH3 (0.43) F2LOXL2AHR
SCHEMBL189125 0.75 LOXL2 (0.37) LOXL2PARP1
SCHEMBL2562389 0.75 RHEB (0.36) LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
EP-1390354-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS Amgen Inc. (US) 2004-02-25 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2002083653-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed