SCHEMBL20032162

SCHEMBL20032162

CCC(Cc1nccn1C)NCc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.40
OPRK1 P41145 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL20032159 0.90 OPRK1 (0.44) ATAD2OPRK1POLBMEN1KMT2A
SCHEMBL18158022 0.81 ATAD2 (0.39) ATAD2OPRK1MEN1KMT2AMAOA
SCHEMBL13661138 0.76 CHRM2 (0.49) ATAD2OPRK1MEN1KMT2AMAOA
SCHEMBL4962518 0.74 KDM4E (0.44) ATAD2MAOAMAOBKDM4EALDH1A1
SCHEMBL20661520 0.74 CYP1A2 (0.45) OPRK1POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL18158045 0.73 OPRK1 (0.44) ATAD2OPRK1MEN1KMT2AMAOA
SCHEMBL19214715 0.72 HRH1 (0.46) POLBMEN1KMT2AMAOAMAOB
SCHEMBL19214747 0.72 FDPS (0.38) OPRK1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL19214814 0.71 HRH3 (0.39) POLBMAOAMAOBKDM4EALDH1A1
SCHEMBL18160751 0.71 MEN1 (0.45) ATAD2MEN1KMT2AMAOAMAOB

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
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed