SCHEMBL8230630

SCHEMBL8230630

Cn1cccc(-c2cccc(CN3Cc4c(NC(=O)c5ccc(Cl)s5)cccc4C3=O)c2)c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.63
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHPS P49366 1/20 0.38
ACKR3 P25106 1/20 0.36
SCD O00767 1/20 0.36
HDAC1 Q13547 3/20 0.35
LIPG Q9Y5X9 2/20 0.35
PRSS12 P56730 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
HDAC7 Q8WUI4 2/20 0.35
STK33 Q9BYT3 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 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
SCHEMBL8230518 0.89 F10 (0.50) F10ALDH1A1HPGDSMN1; SMN2ACKR3
SCHEMBL8230566 0.84 F10 (0.68) F10ALDH1A1HPGDSMN1; SMN2DHPS
SCHEMBL3376377 0.84 F10 (0.74) F10ALDH1A1HPGDSMN1; SMN2DHPS
SCHEMBL5777469 0.84 F10 (0.74) F10ALDH1A1HPGDSMN1; SMN2DHPS
SCHEMBL5782623 0.83 F10 (0.76) F10ALDH1A1HPGDSMN1; SMN2DHPS
SCHEMBL5779422 0.83 F10 (0.73) F10ALDH1A1HPGDSMN1; SMN2DHPS
SCHEMBL5779855 0.83 F10 (0.73) F10ALDH1A1HPGDSMN1; SMN2DHPS
SCHEMBL5779069 0.83 F10 (0.68) F10ALDH1A1HPGDSMN1; SMN2ACKR3
SCHEMBL5782214 0.82 F10 (0.70) F10ALDH1A1HPGDSMN1; SMN2DHPS
SCHEMBL5784059 0.82 F10 (0.72) F10ALDH1A1HPGDSMN1; SMN2DHPS

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-2007137790-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed