SCHEMBL30745000

SCHEMBL30745000

COC(=O)c1cn(C)c2ncccc12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 0.59
BRD4 O60885 1/20 0.57
KDM4E B2RXH2 3/20 0.55
MAP2K1 Q02750 1/20 0.52
KDM6B O15054 1/20 0.50
KDM5A P29375 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
ELANE P08246 2/20 0.49
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL20944704 1.00 NR4A2 (0.59) NR4A2BRD4KDM4EMAP2K1KDM6B
SCHEMBL29302063 0.87 ELANE (0.48) NR4A2BRD4KDM4EKDM6BKDM5A
SCHEMBL29376883 0.84 ELANE (0.46) NR4A2BRD4KDM4EKDM6BKDM5A
SCHEMBL17995257 0.84 ELANE (0.46) NR4A2BRD4KDM4EKDM6BKDM5A
SCHEMBL15077828 0.84 BRD4 (0.56) BRD4KDM4EKDM6BKDM5AKDM4C
SCHEMBL2012994 0.83 KDM4E (0.60) BRD4KDM4EKDM6BKDM5AKDM4C
SCHEMBL22559023 0.81 KDM4E (0.50) BRD4KDM4EKDM6BKDM5AKDM4C
SCHEMBL29302088 0.81 ELANE (0.52) KDM4EKDM6BKDM5AKDM4CELANE
SCHEMBL2053367 0.81 CNR1 (0.68) BRD4CNR1CNR2LMNA
SCHEMBL4062044 0.80 KDM4E (0.42) NR4A2BRD4KDM4EMAP2K1KDM6B

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
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed