SCHEMBL7991473

SCHEMBL7991473

O=C(Nc1ccccc1)OCCOc1ccccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
NPSR1 Q6W5P4 2/20 0.70
SMN1; SMN2 Q16637 4/20 0.66
TSHR P16473 1/20 0.66
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
LMNA P02545 3/20 0.58
TP53 P04637 1/20 0.58
RECQL P46063 1/20 0.56
PKM P14618 1/20 0.54
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL7995034 0.92 NPC1 (0.59) NPC1RAB9ANPSR1SMN1; SMN2TSHR
SCHEMBL7992207 0.86 RAB9A (0.63) NPC1RAB9ANPSR1SMN1; SMN2TSHR
SCHEMBL7998271 0.86 NPSR1 (0.56) NPC1RAB9ANPSR1SMN1; SMN2TSHR
SCHEMBL7998343 0.82 NPSR1 (0.74) NPC1RAB9ANPSR1SMN1; SMN2TSHR
SCHEMBL7992723 0.81 NPC1 (0.53) NPC1RAB9ANPSR1SMN1; SMN2MEN1
SCHEMBL4076346 0.80 NPC1 (1.00) NPC1RAB9ANPSR1SMN1; SMN2TSHR
SCHEMBL7980732 0.79 NPC1 (0.80) NPC1RAB9ANPSR1SMN1; SMN2TSHR
SCHEMBL3758951 0.79 MEN1 (0.60) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7994813 0.78 NPSR1 (0.80) NPC1RAB9ANPSR1SMN1; SMN2TSHR
SCHEMBL7980668 0.78 MEN1 (0.60) NPC1RAB9ANPSR1SMN1; SMN2TSHR

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