SCHEMBL19786544

SCHEMBL19786544

Brc1ccc(-n2c3ccccc3c3c4c5ccc6ccccc6c5sc4c4ccccc4c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A1 P04798 4/20 0.32
CYP1B1 Q16678 4/20 0.32
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL19786320 0.94 KDM4E (0.35) RAB9ACYP1A1CYP1B1CYP1A2KDM4E
SCHEMBL19786535 0.90 ATM (0.41) MEN1KMT2ACYP1A1CYP1B1CYP1A2
SCHEMBL19786550 0.86 PMM2 (0.36) NPC1RAB9ASMN1; SMN2CYP1A1CYP1B1
SCHEMBL19786533 0.86 CYP1B1 (0.34) RAB9ACYP1A1CYP1B1CYP1A2
SCHEMBL19120166 0.85 TP53 (0.34) MEN1NPC1LMNAGLANFKB1
SCHEMBL19786645 0.84 CYP1A2 (0.38) RAB9ACYP1A1CYP1B1CYP1A2
SCHEMBL19786641 0.81 CYP1A1 (0.40) CYP1A1CYP1B1CYP1A2
SCHEMBL19786644 0.80 CYP1A1 (0.41) MEN1KMT2ACYP1A1CYP1B1CYP1A2
SCHEMBL15126943 0.80 KDM4E (0.41) RAB9AKMT2ACYP1A1CYP1B1CYP1A2
SCHEMBL19786553 0.79 CYP3A4 (0.32) LMNACYP1A1CYP1B1

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
WO-2018012781-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-01-18 WO disclosed