SCHEMBL7003968

SCHEMBL7003968

CCN(CC)c1cc(-c2nccc3ccccc23)cc(N(CC)CC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 4/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
GLA P06280 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
S1PR1 P21453 1/20 0.42
CYP2A6 P11509 1/20 0.41
HTR2C P28335 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7007885 0.85 KDM4E (0.40) KMT2AKDM4ENPC1MAPTRAB9A
SCHEMBL7004487 0.79 CYP2A6 (0.39) KMT2AKDM4ENPC1MAPTRAB9A
SCHEMBL7005624 0.78 CYP2A6 (0.41) KMT2AKDM4ENPC1MAPTRAB9A
SCHEMBL7005074 0.75 S1PR1 (0.51) KMT2AKDM4ENPC1MAPTRAB9A
SCHEMBL7004022 0.75 KDM4E (0.47) KMT2AKDM4ENPC1MAPTRAB9A
SCHEMBL7007825 0.75 KDM4E (0.50) KMT2AKDM4ENPC1MAPTRAB9A
SCHEMBL4439497 0.74 CYP2A6 (0.53) KMT2AKDM4ENPC1MAPTRAB9A
SCHEMBL5468265 0.74 CYP2A6 (0.53) KMT2AKDM4ENPC1MAPTRAB9A
SCHEMBL30360258 0.74 CYP2A6 (0.53) KMT2AKDM4ENPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL6007561 0.73 CYP2A6 (0.52) KMT2AKDM4ENPC1MAPTRAB9A

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-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed