SCHEMBL21552452

SCHEMBL21552452

NC[C@H](O)C1=CC=CCC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.32
HTR3A P46098 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13844630 1.00 TAAR1 (0.32) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL13717137 0.82
SCHEMBL17733803 0.81
SCHEMBL31195460 0.80 LMNA (0.33)
SCHEMBL14632167 0.80
SCHEMBL10777302 0.76
SCHEMBL17214551 0.76 TAAR1 (0.33) TAAR1
SCHEMBL11983413 0.76 KDM4E (0.38) TAAR1TSHRNFKB1HIF1AKDM4E
SCHEMBL13980353 0.76
SCHEMBL13696257 0.74 MAPT (0.33) KDM4E

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-3048106-B1 THIENOPYRIMIDINE AS INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2019-11-06 EP disclosed