SCHEMBL20032028

SCHEMBL20032028

CCCc1cc(N)nc(CC(CCC)NCc2ccccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
MPO P05164 1/20 0.36
PGK1 P00558 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOS1 P29475 2/20 0.34
HSP90AA1 P07900 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX15 P16050 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
SCHEMBL20032160 0.78 ALOX15 (0.42) MAOAMAOBPGK1MAPTKDM4E
SCHEMBL20661480 0.76 KDM4E (0.39) MAOAMAOBMAPTKDM4ECYP1A2
SCHEMBL20661517 0.75 TRPV3 (0.39) MAOAMAOBMAPTKDM4ECYP1A2
SCHEMBL18157997 0.72 MAOA (0.45) MAOAMAOBMAPTKDM4ECYP1A2
SCHEMBL20661460 0.71 NOS2 (0.44) SIGMAR1NOS1
SCHEMBL20032083 0.70 KDM4E (0.35) PGK1MAPTKDM4ECYP1A2CYP2D6
SCHEMBL21763488 0.68 POLB (0.50) MAOAMAOBMAPTKDM4ECYP1A2
SCHEMBL16565320 0.68 HRH3 (0.46) MAOAMAOBMAPTCYP1A2CYP2D6
SCHEMBL28198272 0.68 TLR8 (0.45) MAOAMAOBMAPTKDM4ECYP1A2
SCHEMBL20032532 0.68 NOS2 (0.35) NOS1

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