SCHEMBL11087997

SCHEMBL11087997

O=c1ccn(C2CC2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRM1 P35372 3/20 0.39
OPRL1 P41146 3/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR6 P50406 2/20 0.38
PRKCG P05129 3/20 0.37
PRKCB P05771 3/20 0.37
PRKCA P17252 3/20 0.37
PRKCH P24723 3/20 0.37
PRKCE Q02156 3/20 0.37
PRKCD Q05655 3/20 0.37
CAMK2D Q13557 3/20 0.37
PRKCZ Q05513 2/20 0.37
CAMK2B Q13554 2/20 0.37
CAMK2G Q13555 2/20 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
SCHEMBL30292061 1.00 KDM4E (0.43) KDM4EMEN1KMT2AOPRM1OPRL1
Bicarbonate SCHEMBL11084509 0.93 KDM4E (0.49) KDM4EMEN1KMT2AOPRM1OPRL1
SCHEMBL29576458 0.84 LOXL2 (0.39) KDM4EMEN1KMT2APRKCGPRKCB
SCHEMBL10668836 0.77 MAT2A (0.45) DRD2SLC6A4HTR6TOP2ATOP2B
SCHEMBL30906940 0.77 MAT2A (0.45) DRD2SLC6A4HTR6TOP2ATOP2B
SCHEMBL10639977 0.76 TOP2A (0.42) KDM4EHTR6TOP2ATOP2B
SCHEMBL9202034 0.76 MAPK1 (0.32) KDM4EMEN1KMT2AHTR6MAPK1
SCHEMBL1876500 0.76 TOP2A (0.37) KDM4ETOP2ATOP2BDDB1CRBN
SCHEMBL29742967 0.74 TOP2A (0.49) KDM4ETOP2ATOP2B
SCHEMBL15991965 0.74 TOP2A (0.40) TOP2ATOP2B

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-0113091-A1 Microbiocidal agents based on quinolone-carboxylic acids BAYER AG (DE) 1984-07-11 EP disclosed