SCHEMBL6424475

SCHEMBL6424475

CCCCCCCCCCCCCCCCCCN(C(N)=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
PAX8 Q06710 2/20 0.68
JAK2 O60674 1/20 0.68
TP53 P04637 3/20 0.51
ALDH1A1 P00352 5/20 0.49
GPX4 P36969 1/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49
ADRA2C P18825 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
TACR1 P25103 1/20 0.47
ICMT O60725 1/20 0.46
ALB P02768 1/20 0.46
ADRB2 P07550 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL4024848 1.00 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL11344801 1.00 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL7096422 1.00 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL1082836 1.00 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL11344796 1.00 NPC1 (0.68) NPC1RAB9APAX8JAK2TP53
SCHEMBL3055011 0.98 NPC1 (0.65) NPC1RAB9APAX8JAK2TP53
SCHEMBL1506356 0.93 NPC1 (0.58) NPC1RAB9APAX8JAK2TP53
Hydrochloric Acid SCHEMBL27532672 0.92 NPC1 (0.56) NPC1RAB9APAX8JAK2TP53
SCHEMBL10960608 0.86 NPC1 (0.71) NPC1RAB9APAX8JAK2TP53
SCHEMBL10961189 0.86 NPC1 (0.71) NPC1RAB9APAX8JAK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11349553-A None JP disclosed
CN-117396187-A Composition for administration in a body cavity comprising cannabidiol 融实医药(海南)有限公司 2024-01-12 CN disclosed
CN-117279623-A Wound treatment composition 融实医药(海南)有限公司 2023-12-22 CN disclosed
CN-110257142-B Preparation method of ultrasonic response type boron nitride nano gel lubricating material 中国科学院兰州化学物理研究所 2021-07-23 CN disclosed
EP-1164031-B1 Thermo reversible recording medium, member having information memorizing part, thermo reversible recording label, method of and apparatus for image processing RICOH KK (JP) 2005-02-09 EP disclosed
US-6794334-B2 HEAT SENSIBLE LAYER IS MADE OF RESIN AND ORGANIC LOWER MOLECULAR WEIGHT LINEAR HYDROCARBON CONTAINING COMPOUND HAVING NO CARBOXYL GROUP, AND SECOND COMPOUND ALSO HAVING NO CARBOXYLIC GROUP, MELTING POINT OF SECOND IS LOWER THAN RICOH COMPANY, LTD. (JP) 2004-09-21 US disclosed
CN-1495173-A Alpha-amino-N-allylamidinonitrobenzene compound and its synthesis 伊斯曼柯达公司 2004-05-12 CN disclosed
US-20020045546-A1 Thermo reversible recording medium, member having information memorizing part, thermo reversible recording label, method of and apparatus for image processing RICOH COMPANY, LTD. (JP) 2002-04-18 US disclosed
EP-1164031-A1 Thermo reversible recording medium, member having information memorizing part, thermo reversible recording label, method of and apparatus for image processing Ricoh Company (JP) 2001-12-19 EP disclosed
JP-H11349553-A NEW ESTER COMPOUND WITH UREA BOND RICOH CO LTD 1999-12-21 JP disclosed