SCHEMBL3816947

SCHEMBL3816947

Clc1ccc(N2CC(c3ccccc3)C=N2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.37
DRD4 P21917 2/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PRKCZ Q05513 1/20 0.35
HSD11B1 P28845 3/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 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
SCHEMBL14275214 0.88 MAPT (0.34) KDM1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL31207773 0.86 MEN1 (0.41) KDM1AALDH1A1HPGDDRD4LMNA
SCHEMBL31207785 0.75 HTR6 (0.38) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5061808 0.74 GFER (0.43) LMNAPRKCZNPC1MAPT
SCHEMBL31207784 0.73 LMNA (0.41) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL31263067 0.70 ALDH1A1 (0.36) KDM1AALDH1A1HPGDKDM4ELMNA
SCHEMBL31478293 0.69 KDM1A (0.52) KDM1AALDH1A1HPGDKDM4ELMNA
SCHEMBL10287802 0.68 ALDH1A1 (0.38) ALDH1A1HPGDDRD4DRD2KMT2A
SCHEMBL7991481 0.67 MAPT (0.45) ALDH1A1HPGDKDM4ELMNAPOLB
SCHEMBL22906223 0.65 L3MBTL1 (0.38) ALDH1A1HPGDKDM4ELMNAMEN1

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
WO-2009140210-A2 RADIOTRACERS FOR IMAGING CANNABINOID SUB-TYPE1 (CB1) RECEPTOR THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-11-19 WO disclosed