SCHEMBL11996063

SCHEMBL11996063

Cc1ccc(CN(C)c2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.45
CHKA P35790 1/20 0.45
MMP13 P45452 1/20 0.43
PYCR1 P32322 1/20 0.42
HDAC1 Q13547 3/20 0.41
CYP19A1 P11511 2/20 0.41
HDAC3 O15379 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
BRD4 O60885 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4402952 0.86 CYP2C19 (0.52) PYCR1CYP2C19CRHBPCRHR2
SCHEMBL15079442 0.86 CYP2C19 (0.52) PYCR1CYP2C19CRHBPCRHR2
SCHEMBL21423347 0.82 CYP2C19 (0.60) CHRM5CHKAMMP13PYCR1CYP19A1
SCHEMBL5182572 0.82 NR1H2 (0.50) CHRM5CHKAHDAC1HDAC3CYP2C19
SCHEMBL171670 0.80 PYCR1 (0.53) MMP13PYCR1CYP19A1CYP11B1CYP11B2
SCHEMBL12679046 0.80 ALDH1A1 (0.52) PYCR1CYP2C19CRHBPCRHR2
SCHEMBL11001060 0.80 CRHBP (0.59) PYCR1HDAC1CYP19A1HDAC3NPSR1
SCHEMBL12679026 0.80 HRH3 (0.52) PYCR1CYP19A1CYP2C19CRHBPCRHR2
Hydrochloric Acid SCHEMBL3259774 0.79 LMNA (0.50) PYCR1HDAC1CYP19A1RAB9ASMN1; SMN2
SCHEMBL2335790 0.79 MEN1 (0.40) CHRM5CHKAPYCR1HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9234256-B2 Scavenger supports and the use thereof in a process for the extraction of metals JOHNSON MATTHEY FINLAND OY (FI) 2016-01-12 US disclosed
US-8652335-B2 Scavenger supports and the use thereof in a process for the extraction of metals JOHNSON MATTHEY FINLAND OY (FI) 2014-02-18 US disclosed
US-20120211439-A1 SCAVENGER SUPPORTS AND THE USE THEREOF IN A PROCESS FOR THE EXTRACTION OF METALS JOHNSON MATTHEY FINLAND OY (FI) 2012-08-23 US disclosed
US-20090023604-A1 Scavenger supports and the use thereof in a process for the extraction of metals JOHNSON MATTHEY FINLAND OY (FI) 2009-01-22 US disclosed