SCHEMBL6842392

SCHEMBL6842392

C=C(C)C(=O)Oc1ccc(-c2ccccn2)cc1.[Ir].[Ir]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.56
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.43
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL2959744 0.99 ELANE (0.57) ELANECYP2C9CYP1A2CYP2D6CYP19A1
SCHEMBL4986100 0.97 ELANE (0.56) ELANECYP2C9CYP1A2CYP2D6CYP19A1
SCHEMBL3989956 0.85 ELANE (0.47) ELANESMN1; SMN2NPC1MAPTPKM
SCHEMBL31013618 0.85 ELANE (0.50) ELANECYP2C9CYP1A2CYP2D6CYP19A1
SCHEMBL6832446 0.83 ELANE (0.47) ELANESMN1; SMN2NPC1KMT2AMAPT
SCHEMBL6590103 0.83 LMNA (0.57) ELANECYP2C9CYP1A2CYP2D6CYP19A1
SCHEMBL13458077 0.82 LMNA (0.56) ELANECYP2C9CYP1A2CYP2D6CYP19A1
SCHEMBL22873978 0.81 ELANE (0.49) ELANESMN1; SMN2NPC1KMT2ATP53
SCHEMBL9183109 0.78 ELANE (0.70) ELANECYP2C9CYP1A2CYP2C19SMN1; SMN2
SCHEMBL242192 0.78 ELANE (0.70) ELANECYP2C9CYP1A2CYP2C19SMN1; SMN2

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
US-20040247934-A1 Light emitting material and organic light-emitting device SAMSUNG ELECTRONICS CO., LTD (KR) 2004-12-09 US disclosed