SCHEMBL9526005

SCHEMBL9526005

CCn1cccc1C(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.70
MAPT P10636 2/20 0.70
LMNA P02545 2/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 1/20 0.70
ALOX12 P18054 1/20 0.70
KMT2A Q03164 1/20 0.70
TSHR P16473 3/20 0.52
GFER P55789 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL9329215 0.82 RECQL (1.00) RECQLMAPTLMNAMEN1ALDH1A1
SCHEMBL10515603 0.81 PBRM1 (0.50) RECQLMAPTLMNAMEN1ALDH1A1
SCHEMBL29229 0.81 LMNA (0.44) RECQLMAPTLMNAMEN1ALDH1A1
SCHEMBL9688698 0.79 RECQL (0.66) RECQLMAPTLMNAMEN1ALDH1A1
SCHEMBL9688818 0.79 RECQL (0.66) RECQLMAPTLMNAMEN1ALDH1A1
SCHEMBL27256801 0.79 RECQL (0.69) RECQLMAPTLMNAMEN1ALDH1A1
SCHEMBL10939276 0.78 ALDH1A1 (0.47) RECQLMAPTLMNAMEN1ALDH1A1
SCHEMBL10365910 0.78 RECQL (0.64) RECQLMAPTLMNAMEN1ALDH1A1
SCHEMBL27995751 0.78 RECQL (0.59) RECQLMAPTLMNAMEN1ALDH1A1
SCHEMBL3504148 0.77 LMNA (0.41) RECQLMAPTLMNAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231996-B1 NOVEL AMINO ACID DERIVATIVES NOVO NORDISK A/S (DK) 1993-10-06 EP disclosed
US-4931450-A Amino acid derivatives NOVO INDUSTRI A/S (DK) 1990-06-05 US disclosed
EP-0231996-A2 Novel amino acid derivatives NOVO NORDISK A/S (DK) 1987-08-12 EP disclosed