SCHEMBL10772014

SCHEMBL10772014

O=C(CN1CCNCC1c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SIGMAR1 Q99720 3/20 0.44
HTR2C P28335 3/20 0.42
SLC18A3 Q16572 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIN2B Q13224 1/20 0.40
HTR2A P28223 2/20 0.40
KCNH2 Q12809 1/20 0.40
RIPK1 Q13546 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
SCHEMBL6301700 0.88 SIGMAR1 (0.42) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL2885089 0.85 SIGMAR1 (0.41) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL1109657 0.85 SIGMAR1 (0.41) ALDH1A1SIGMAR1HTR2CDPP4DPP7
Hydrochloric Acid SCHEMBL7293029 0.84 SIGMAR1 (0.40) SIGMAR1HTR2CDPP4DPP7HTR2A
SCHEMBL10772614 0.82 KMT2A (0.45) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL4875258 0.81 KMT2A (0.44) ALDH1A1KMT2AKDM4EMEN1HPGD
Hydrochloric Acid SCHEMBL28338297 0.81 MAPT (0.41) KMT2AKDM4EMEN1GAA
Hydrochloric Acid SCHEMBL3838026 0.80 KMT2A (0.43) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL10409483 0.79 SLC6A2 (0.40) KMT2AHPGDTDP1HTR2CDPP4
SCHEMBL4977025 0.79 SLC18A3 (0.44) HTR2CSLC18A3HTR2AHTR2B

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-0250193-A2 Photoreactive lenses GEC-MARCONI LIMITED (GB) 1987-12-23 EP disclosed