SCHEMBL16359672

SCHEMBL16359672

Ic1ccc(OCCCn2cncn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
LMNA P02545 3/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
KDM4E B2RXH2 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
TP53 P04637 2/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
ALDH1A1 P00352 5/20 0.63
TSHR P16473 1/20 0.57
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL16358260 0.92 SMN1; SMN2 (0.72) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL10789133 0.84 SMN1; SMN2 (0.70) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL12834842 0.84 MAPT (0.69) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL8995270 0.82 MAPT (0.66) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL16417992 0.82 SMN1; SMN2 (0.67) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL8995256 0.82 MAPT (0.66) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL763447 0.80 ALDH1A1 (0.64) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL16314569 0.79 MAPT (0.62) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL12835272 0.79 ALDH1A1 (0.62) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL10784148 0.76 SMN1; SMN2 (0.72) MAPTLMNAMEN1KMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732543-B1 TETRACYCLIC CARBOLINE DERATIVES FOR INHIBITING ANGIOGENESIS PTC THERAPEUTICS INC (US) 2017-05-10 EP disclosed
WO-2008127715-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed