SCHEMBL25656302

SCHEMBL25656302

O=C(Nc1ccccc1-c1cccc2ccccc12)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.62
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
GPR35 Q9HC97 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47

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
SCHEMBL21537421 0.89 DHODH (0.60) DHODHNPC1RAB9AKMT2AMEN1
SCHEMBL30449995 0.88 KMT2A (0.60) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL18347060 0.88 KMT2A (0.60) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL18347046 0.88 NPC1 (0.59) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL30449706 0.88 NPC1 (0.59) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL18347008 0.86 SIRT2 (0.58) DHODHNPC1RAB9AKMT2AMEN1
SCHEMBL18347072 0.84 NPC1 (0.54) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL18347006 0.84 NPC1 (0.56) DHODHNPC1RAB9AKMT2AMEN1
SCHEMBL21537854 0.83 PARP14 (0.58) DHODHNPC1RAB9AKMT2AMEN1
SCHEMBL21537703 0.83 DHODH (0.54) DHODHNPC1RAB9AKMT2AMEN1

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-3561892-B1 ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO LTD (KR) 2023-05-10 EP disclosed