SCHEMBL6330575

SCHEMBL6330575

[NaH].c1csc(-c2cc[nH]n2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
PDPK1 O15530 1/20 0.42
RAB9A P51151 1/20 0.42
METAP1 P53582 1/20 0.40
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CYP2A6 P11509 1/20 0.38
SMPD3 Q9NY59 1/20 0.38
SYK P43405 5/20 0.36
CYP1A1 P04798 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP1B1 Q16678 3/20 0.36
SRC P12931 2/20 0.35
ZAP70 P43403 2/20 0.35
ADRB2 P07550 1/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 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
SCHEMBL1782526 0.98 HSP90AA1 (0.46) HSP90AA1PDPK1RAB9AMETAP1ADORA2A
SCHEMBL28550298 0.76 ADORA2A (0.37) HSP90AA1PDPK1RAB9AMETAP1ADORA2A
SCHEMBL5463009 0.75 PDPK1 (0.33) HSP90AA1PDPK1RAB9AADORA2AADORA1
SCHEMBL30511083 0.70
SCHEMBL18210540 0.69 HSP90AA1 (0.49) HSP90AA1PDPK1RAB9AMETAP1ADORA2A
SCHEMBL1673128 0.68
SCHEMBL102331 0.68 PDPK1 (0.59) HSP90AA1PDPK1RAB9AMETAP1ADORA2A
SCHEMBL4902877 0.67 RAB9A (0.61) HSP90AA1PDPK1RAB9AMETAP1LOXL2
Aminothiazole SCHEMBL9354394 0.67 ALDH1A1 (0.54) HSP90AA1RAB9A
SCHEMBL1389231 0.67 HSP90AA1 (0.42) HSP90AA1PDPK1RAB9AMETAP1ADORA2A

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-6858327-B2 Organic light emitting materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2005-02-22 US disclosed
WO-2004045001-A2 ORGANIC LIGHT EMITTING MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2004-05-27 WO disclosed
US-20040091738-A1 Organic light emitting materials and devices UNIVERSAL DISPLAY CORPORATION 2004-05-13 US disclosed