SCHEMBL20032032

SCHEMBL20032032

CCCC(CC)Nc1cccc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX15 P16050 1/20 0.47
GLO1 Q04760 1/20 0.47
MMP14 P50281 1/20 0.46
TLR8 Q9NR97 3/20 0.45
TLR7 Q9NYK1 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
IDO1 P14902 1/20 0.43

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
SCHEMBL3063140 0.76 IDO1 (0.61) MAPTHTTLMNACYP1A2CYP3A4
SCHEMBL9911357 0.76 HTT (0.56) MAPTHTTLMNACYP1A2CYP3A4
SCHEMBL27593657 0.75 IDO1 (0.49) MAPTLMNACYP1A2CYP3A4ALDH1A1
SCHEMBL22072293 0.73 TDP1 (0.54) MAPTHTTLMNACYP1A2CYP3A4
SCHEMBL9180960 0.73 HTT (0.57) MAPTHTTCYP1A2CYP3A4ALDH1A1
SCHEMBL6222568 0.73 KMT2A (0.56) MAPTHTTLMNACYP1A2CYP3A4
SCHEMBL21254246 0.72 TLR8 (0.41) MAPTHTTLMNACYP3A4ALDH1A1
SCHEMBL21556955 0.72 TLR8 (0.38) MAPTHTTLMNAALDH1A1CYP2C19
SCHEMBL1382276 0.71 HSP90AA1 (0.71) MAPTHTTLMNACYP1A2CYP3A4
SCHEMBL22073023 0.71 POLB (0.55) MAPTHTTLMNAHPGDSMN1; SMN2

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