SCHEMBL7980732

SCHEMBL7980732

O=C(Nc1ccccc1)OCCOc1ccc(Cl)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.80
RAB9A P51151 5/20 0.80
SMN1; SMN2 Q16637 4/20 0.80
TSHR P16473 1/20 0.80
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
LMNA P02545 1/20 0.74
TP53 P04637 1/20 0.74
KCNA5 P22460 1/20 0.58
NPSR1 Q6W5P4 2/20 0.58
RECQL P46063 1/20 0.56
TAAR1 Q96RJ0 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL7994779 0.94 NPC1 (0.80) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7995865 0.92 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL4076346 0.89 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7991486 0.86 KCNA5 (0.61) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7980669 0.85 NPC1 (0.80) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7992207 0.81 RAB9A (0.63) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL10597414 0.80 NPC1 (0.82) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7995034 0.80 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7994882 0.79 NPC1 (0.80) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7991473 0.79 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TSHRMEN1

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