SCHEMBL21549458

SCHEMBL21549458

COC(=O)C1C=CC=C(Cl)C1(C)C#N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HKDC1 Q2TB90 2/20 0.32
HSP90AA1 P07900 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
ITGA4 P13612 1/20 0.32
S1PR1 P21453 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL15903467 0.72
SCHEMBL3663131 0.69
SCHEMBL8265203 0.65 MAPT (0.35) MAPT
SCHEMBL8763016 0.63
SCHEMBL10535820 0.62 MEN1 (0.31) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL5696603 0.62
SCHEMBL10833958 0.61 SOD1 (0.30)
SCHEMBL29257041 0.60 ALDH1A1 (0.31) MAPTHTTALDH1A1ITGA4
SCHEMBL7172992 0.60 POLA1 (0.33) HTTALDH1A1
SCHEMBL23648250 0.59 ALDH1A1 (0.30) HTTALDH1A1

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-3564237-A1 UREA COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2019-11-06 EP disclosed