SCHEMBL26323598

SCHEMBL26323598

c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5cc(-c6ccc7ncccc7c6)oc5c4)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.44
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
DYRK1A Q13627 1/20 0.39
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
ATR Q13535 1/20 0.36
MCL1 Q07820 2/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PIK3CA P42336 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ALOX5 P09917 1/20 0.32
AR P10275 1/20 0.31
CYP19A1 P11511 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31

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
SCHEMBL24353087 0.85 UTRN (0.45) GRM4NPC1POLBRAB9ADYRK1A
SCHEMBL19369609 0.82 UTRN (0.46) GRM4NPC1POLBRAB9ADYRK1A
SCHEMBL19369618 0.80 UTRN (0.43) GRM4NPC1POLBRAB9ADYRK1A
SCHEMBL31379859 0.80 NPC1 (0.46) NPC1POLBRAB9ADYRK1AATR
SCHEMBL28610643 0.80 NPC1 (0.46) NPC1POLBRAB9ADYRK1AATR
SCHEMBL22350093 0.76 PTPRC (0.43) NPC1RAB9APTPRCPTPN1ALOX5
SCHEMBL22135430 0.75 NPC1 (0.48) NPC1POLBRAB9ADYRK1AATR
SCHEMBL21476819 0.75 PTPRC (0.39) GRM4NPC1RAB9APTPRCPTPN1
SCHEMBL18308631 0.75 POLB (0.34) NPC1POLBRAB9ADYRK1AMCL1
SCHEMBL21476274 0.75 PTPRC (0.43) NPC1RAB9APTPRCPTPN1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436452-B1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE THEREOF DOW GLOBAL TECHNOLOGIES LLC (US) 2023-09-13 EP disclosed