SCHEMBL20032096

SCHEMBL20032096

CCCCN(C)CCC(C)NCCN(C)CCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.40
CYP3A4 P08684 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL172594 0.83 KDM4E (0.61) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL19865662 0.79 ALDH1A1 (0.54) TDP1ALDH1A1CYP2C19CYP1A2ATM
SCHEMBL20661492 0.78 NR1H2 (0.40) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL13699036 0.77 KDM4E (0.60) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL19214811 0.77 TDP1 (0.43) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL13999458 0.76 ALDH1A1 (0.56) TDP1POLBALDH1A1CYP2C19CYP1A2
SCHEMBL172602 0.75 KDM4E (0.65) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL31059180 0.75 KDM4E (0.68) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL31059181 0.75 KDM4E (0.68) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL12819456 0.75 KDM4E (0.68) KDM4ETSHRTDP1POLBNPSR1

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