SCHEMBL22559957

SCHEMBL22559957

NC(=O)NC1(I)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL23654379 0.87
SCHEMBL18183669 0.78 CYP2C19 (0.33) ALDH1A1SMN1; SMN2TSHRUSP2LMNA
SCHEMBL28604797 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRUSP2LMNA
SCHEMBL776267 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRUSP2LMNA
Hydrochloric Acid SCHEMBL29022150 0.73 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRUSP2LMNA
SCHEMBL28225733 0.73 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRUSP2LMNA
SCHEMBL15062781 0.73 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRUSP2LMNA
SCHEMBL11737698 0.71 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRUSP2LMNA
SCHEMBL23641139 0.71 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TSHRUSP2LMNA
SCHEMBL31375649 0.70 CYP1A2 (0.39) ALDH1A1SMN1; SMN2TSHRUSP2LMNA

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
US-10808059-B2 Polymer CANON KABUSHIKI KAISHA (JP) 2020-10-20 US disclosed