SCHEMBL4513178

SCHEMBL4513178

Sc1ccnc(-c2cccnc2-c2ccccn2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
TGFBR1 P36897 5/20 0.38
NPY5R Q15761 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
TGFBR2 P37173 1/20 0.37
MAPK14 Q16539 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL6381236 0.85 TGFBR1 (0.42) CYP2A6TGFBR1NPY5RLMNAKDM4E
SCHEMBL10871976 0.82 ADORA2A (0.41) CYP2A6TGFBR1NPY5RLMNAKDM4E
SCHEMBL17783299 0.82 NPC1 (0.44) CYP2A6TGFBR1NPY5RLMNAKDM4E
SCHEMBL6384277 0.82 TGFBR1 (0.39) CYP2A6TGFBR1NPY5RLMNAKDM4E
SCHEMBL28423884 0.81 ADORA2A (0.40) CYP2A6TGFBR1NPY5RLMNAKDM4E
SCHEMBL923479 0.79 PTGS1 (0.47) CYP2A6TGFBR1NPY5RLMNAKDM4E
SCHEMBL728771 0.79 KDM4E (0.46) TGFBR1LMNAKDM4ECYP1A2POLB
SCHEMBL728770 0.79 KDM4E (0.50) CYP2A6TGFBR1LMNAKDM4ECYP1A2
SCHEMBL57318 0.79 KDM4E (0.50) CYP2A6TGFBR1NPY5RLMNAKDM4E
Biphenyl SCHEMBL1363812 0.77 CYP2A6 (0.48) CYP2A6TGFBR1NPY5RLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091077-B1 ELECTRODE COATING MATERIAL, ELECTRODE STRUCTURE AND SEMICONDUCTOR DEVICE SONY CORP (JP) 2014-01-29 EP disclosed
US-20120308933-A1 RADIATION SENSITIVE SELF-ASSEMBLED MONOLAYERS AND USES THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-12-06 US disclosed
US-8273886-B2 Attaching radiation sensitive compounds to substrate; exposing to e-beam radiation; complexing metal binding group of radiation sensitive compounds with metal, metal compound, or metal or metal-oxide; attaching ligand, complexing; 4-[N-(3-triethoxysilyl)propyl]-carbamoyl-2-nitrobenzyl isonicotinate INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-09-25 US disclosed
US-7531293-B2 Radiation sensitive self-assembled monolayers and uses thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-05-12 US disclosed
US-20080318157-A1 RADIATION SENSITIVE SELF-ASSEMBLED MONOLAYERS AND USES THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2008-12-25 US disclosed
US-20070278179-A1 Radiation sensitive self-assembled monolayers and uses thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-12-06 US disclosed