SCHEMBL7992207

SCHEMBL7992207

O=C(Nc1ccccc1)OCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.63
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
NPC1 O15118 5/20 0.63
NPSR1 Q6W5P4 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
TSHR P16473 2/20 0.59
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RECQL P46063 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL7992735 0.87 MEN1 (0.62) RAB9AMEN1KMT2ANPC1NPSR1
SCHEMBL7991473 0.86 NPC1 (0.70) RAB9AMEN1KMT2ANPC1NPSR1
SCHEMBL8655167 0.85 NPC1 (0.55) RAB9AMEN1KMT2ANPC1NPSR1
SCHEMBL7995034 0.84 NPC1 (0.59) RAB9AMEN1KMT2ANPC1NPSR1
SCHEMBL7994880 0.83 MEN1 (0.53) RAB9AMEN1KMT2ANPC1NPSR1
SCHEMBL1090261 0.82 HPGD (0.77) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL21596093 0.81 MAPT (0.59) RAB9ANPC1SMN1; SMN2TSHRMAPT
SCHEMBL7980732 0.81 NPC1 (0.80) RAB9AMEN1KMT2ANPC1NPSR1
SCHEMBL11626260 0.80 TDP1 (0.63) RAB9ANPC1SMN1; SMN2TSHRMAPT
SCHEMBL1412399 0.80 MAPT (0.59) RAB9AMEN1KMT2ANPC1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294502-B1 Thermally-responsive record material BAYER AKTIENGESELLSCHAFT (DE) 2001-09-25 US claimed
US-6294502-B1 Thermally-responsive record material BAYER AKTIENGESELLSCHAFT (DE) 2001-09-25 US disclosed
WO-1999061251-A1 THERMALLY-RESPONSIVE RECORD MATERIAL CONTAINING A CARBAMATE COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1999-12-02 WO disclosed