SCHEMBL4904752

SCHEMBL4904752

c1csc(-c2nc[nH]n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
ADORA2A P29274 4/20 0.40
ADORA1 P30542 3/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
CYP2A6 P11509 1/20 0.36
SMPD3 Q9NY59 1/20 0.36
HSP90AA1 P07900 1/20 0.35
METAP1 P53582 1/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
PKM P14618 2/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
NOS1 P29475 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRB2 P07550 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL102331 0.71 PDPK1 (0.59) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL556950 0.70 PDPK1 (0.54) PDPK1ADORA2ALOXL2CYP2A6SMPD3
SCHEMBL31556353 0.69 PDPK1 (0.56) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL30632310 0.69 PDPK1 (0.56) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL28154527 0.69 PDPK1 (0.56) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL30534095 0.69 PDPK1 (0.56) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL16112970 0.67 PDPK1 (0.45) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL9844212 0.67 PLA2G10 (0.39)
SCHEMBL9826033 0.67 CYP2A6 (0.42) CYP2A6KMT2ARECQLALDH1A1KDM4E
SCHEMBL13090462 0.67 ADORA2A (0.47) PDPK1ADORA2ALOXL2CYP2A6SMPD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255182-B2 Data storage medium and method for high density data storage INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-02-09 US claimed
WO-2014125438-A1 COAGULATION OF BIOPOLYMERS FROM IONIC LIQUID SOLUTIONS USING CO2 THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-21 WO claimed
US-20080175135-A1 DATA STORAGE MEDIUM AND METHOD FOR HIGH DENSITY DATA STORAGE DUERIG URS T 2008-07-24 US claimed
US-20080076903-A1 DATA STORAGE MEDIUM AND METHOD FOR HIGH DENSITY DATA STORAGE INTERNATIONAL BUSINESS MACHINES CORPORATION 2008-03-27 US claimed
US-9255182-B2 Data storage medium and method for high density data storage INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-02-09 US disclosed
US-20080175135-A1 DATA STORAGE MEDIUM AND METHOD FOR HIGH DENSITY DATA STORAGE DUERIG URS T 2008-07-24 US disclosed
US-20080076903-A1 DATA STORAGE MEDIUM AND METHOD FOR HIGH DENSITY DATA STORAGE INTERNATIONAL BUSINESS MACHINES CORPORATION 2008-03-27 US disclosed
US-6699883-B1 ANTIBIOTICS, BACTERICIDES, ANTITUMOR MORPHOCHEM AG (DE) 2004-03-02 US disclosed