SCHEMBL21650396

SCHEMBL21650396

Nc1cccc2c1C(N)CCC2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.37
IDO1 P14902 2/20 0.37
TSHR P16473 1/20 0.34

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
SCHEMBL18540921 0.88 ACHE (0.45) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL21650388 0.88 ACHE (0.45) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL2856023 0.79 ACHE (0.39) ACHEIDO1
SCHEMBL16308828 0.79 ACHE (0.39) ACHEIDO1
SCHEMBL30207894 0.79 DRD2 (0.46) ACHE
SCHEMBL21772217 0.79 PDE7A (0.41)
SCHEMBL22061857 0.79 DRD2 (0.46) ACHEIDO1
SCHEMBL15129435 0.79 HTR2C (0.42) ALDH1A1ACHE
SCHEMBL19667607 0.79 DRD2 (0.46) ACHE
SCHEMBL20350196 0.79 ACHE (0.36) ACHEIDO1

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-2020023193-A1 PREPARATION OF BIMODAL RUBBER, THERMOPLASTIC VULCANIZATES, AND ARTICLES MADE THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-01-30 WO disclosed