SCHEMBL18088201

SCHEMBL18088201

Nc1ccc(-c2cc3cccc4cc(-c5ccc(N)cc5)c5cccc2c5c34)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.47
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
APP P05067 1/20 0.41
MITF O75030 1/20 0.40
KIT P10721 2/20 0.38
KDR P35968 2/20 0.38
FLT3 P36888 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
ERBB2 P04626 1/20 0.37
CYP1A2 P05177 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL17306808 0.93 CYP1A2 (0.47) PRKCZNCOA1NCOA3APPMITF
SCHEMBL18088198 0.81 ADORA3 (0.44) APPKDRALDH1A1HPGDHSD17B10
SCHEMBL10043606 0.80 PRKCZ (0.55) PRKCZNCOA1NCOA3APPMITF
SCHEMBL16424628 0.79 CYP3A4 (0.48) PRKCZNCOA1NCOA3APPKIT
SCHEMBL30516294 0.79 CYP3A4 (0.48) PRKCZNCOA1NCOA3APPKIT
SCHEMBL28530131 0.79 CYP1A2 (0.44) PRKCZNCOA1NCOA3APPKIT
SCHEMBL28406194 0.77 PRKCZ (0.51) PRKCZNCOA1NCOA3APPMITF
SCHEMBL30034553 0.77 ALDH1A1 (0.44) PRKCZNCOA1NCOA3APPKIT
SCHEMBL9561191 0.77 ALDH1A1 (0.44) PRKCZNCOA1NCOA3APPKIT
SCHEMBL23332525 0.77 GPR84 (0.48) ALDH1A1HPGDHSD17B10CYP1A2TSHR

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
EP-3271346-B1 ARYL COMPOUNDS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME UNIV NEVADA RENO (US) 2021-05-05 EP disclosed
WO-2019173243-A1 POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2019-09-12 WO disclosed
WO-2016149633-A1 ARYL COMPOUNDS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2016-09-22 WO disclosed