SCHEMBL7946744

SCHEMBL7946744

CCCCC(c1nc2ccccc2n1CC)c1nc2ccccc2n1CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTT P42858 1/20 0.51
TLR8 Q9NR97 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 2/20 0.48
PKM P14618 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
GLA P06280 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL5551899 0.90 SMN1; SMN2 (0.70) NPSR1SMN1; SMN2LMNAUSP2TLR8
SCHEMBL7946547 0.84 NPSR1 (0.68) NPSR1SMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL230840 0.80 POLB (0.58) NPSR1SMN1; SMN2LMNAUSP2CYP1A2
SCHEMBL18250273 0.79 LMNA (0.67) NPSR1SMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL21540458 0.78 NPSR1 (0.63) NPSR1SMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL12915261 0.76 NPSR1 (0.61) NPSR1SMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL30134160 0.76 SMN1; SMN2 (0.73) NPSR1SMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL13497652 0.76 NPSR1 (0.61) NPSR1SMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL10823939 0.76 NPSR1 (1.00) NPSR1SMN1; SMN2LMNAUSP2CYP1A2
SCHEMBL14600592 0.75 NPSR1 (0.60) NPSR1SMN1; SMN2LMNACYP1A2CYP2D6

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-6180788-B1 METAL COMPLEXES FOR CATALYSTS WITH COPPER, SILVER OR GOLD EXXON RESEARCH AND ENGINEERING COMPANY 2001-01-30 US disclosed