SCHEMBL11560607

SCHEMBL11560607

CN(C)c1c(-c2ccccc2)sc2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 6/20 0.48
▸ KDM4E B2RXH2 2/20 0.43
▸ IDO1 P14902 1/20 0.40
▸ CYP2A6 P11509 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAT2A P31153 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ STK17B O94768 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 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
SCHEMBL11560790 0.91 ROCK1 (0.50) ROCK1KDM4EIDO1CYP2A6MAPT
SCHEMBL11559528 0.83 HPGD (0.37) ROCK1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL11555309 0.81 KDM4E (0.38) ROCK1KDM4EMEN1KMT2A
SCHEMBL11558674 0.80 L3MBTL1 (0.42) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL6076483 0.80 ROCK1 (0.72) ROCK1KDM4EIDO1CYP2A6MAPT
SCHEMBL11557070 0.79 L3MBTL1 (0.40) ROCK1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL11531911 0.78 PDE10A (0.49) ROCK1KDM4EIDO1PDE10APIM1
SCHEMBL11531399 0.77 ROCK1 (0.44) ROCK1KDM4EIDO1CYP2A6PDE10A
Hydrochloric Acid SCHEMBL11529086 0.77 PDE10A (0.48) ROCK1KDM4EIDO1PDE10APIM1
SCHEMBL10745872 0.76 ROCK1 (0.48) ROCK1KDM4EIDO1SMN1; SMN2LMNA

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-4157399-A Benzo(B)thiophenes PARCOR (FR) 1979-06-05 — — US disclosed
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