SCHEMBL17326498

SCHEMBL17326498

CC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2cccc(C(=O)O)c2)C3=O)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ HPGD P15428 3/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ LPAR1 Q92633 1/20 0.57
▸ LPAR5 Q9H1C0 1/20 0.57
▸ LPAR3 Q9UBY5 1/20 0.57
▸ RAB9A P51151 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ S100B P04271 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ENPP2 Q13822 1/20 0.48

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
SCHEMBL17326282 0.90 HPGD (0.68) POLBKMT2AMAPK1MEN1HPGD
SCHEMBL17326506 0.87 MAPK1 (0.75) POLBKMT2AMAPK1MEN1HPGD
SCHEMBL17326730 0.81 HPGD (0.62) POLBKMT2AMAPK1MEN1HPGD
SCHEMBL9458368 0.81 HSD17B10 (0.76) POLBKMT2AMAPK1MEN1HSD17B10
SCHEMBL20512991 0.80 KMT2A (0.74) POLBKMT2AMAPK1MEN1HPGD
SCHEMBL17326722 0.80 CYP2C9 (0.60) POLBKMT2AMAPK1MEN1HPGD
SCHEMBL9803534 0.79 LPAR1 (0.77) POLBKMT2AMAPK1MEN1HSD17B10
SCHEMBL6121212 0.77 NR1H4 (0.62) POLBKMT2AMAPK1HPGDHSD17B10
SCHEMBL11912138 0.76 POLB (0.63) POLBKMT2AMEN1HSD17B10LPAR1
SCHEMBL5159288 0.76 MEN1 (0.60) POLBKMT2AMAPK1MEN1HPGD

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-2015185785-A1 DERIVATIVES OF ISOINDOLIN-1,3-DIONE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2015-12-10 — — WO disclosed
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