SCHEMBL4854669

SCHEMBL4854669

c1ccc(CCN(CCc2ccccn2)Cc2ccccc2CN(CCc2ccccn2)CCc2ccccn2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
LIN28A Q9H9Z2 1/20 0.58
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 2/20 0.54
KDM4E B2RXH2 3/20 0.50
TSHR P16473 2/20 0.50
HRH1 P35367 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
RECQL P46063 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL4033092 0.89 TDP1 (0.74) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL16099570 0.89 CYP1A2 (0.51) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL27219673 0.87 TDP1 (0.71) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL4961822 0.86 TDP1 (0.63) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL8772399 0.85 TDP1 (0.81) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL16129131 0.85 TDP1 (0.46) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL23495440 0.83 TDP1 (0.78) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL7105171 0.81 SMN1; SMN2 (0.57) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL7106696 0.81 SMN1; SMN2 (0.57) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL3389096 0.81 CYP2D6 (0.61) TDP1MAPTSMN1; SMN2LIN28ACYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361712-B2 Water absorbing agent, process for its production, and absorbers and absorbent articles made by using the agent SAN-DIA POLYMERS, LTD. (JP) 2008-04-22 US disclosed
US-20050080194-A1 Water absorbing agent, process for its production, and absorbers and absorbent articles made by using the agent SAN-DIA POLYMERS, LTD. (JP) 2005-04-14 US disclosed