SCHEMBL10480245

SCHEMBL10480245

COc1cc(N2C(=O)C=CC2=O)c(OC)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 1.00
▸ MAPT P10636 2/20 1.00
▸ HSP90AA1 P07900 1/20 1.00
▸ PKM P14618 1/20 1.00
▸ MAPK1 P28482 1/20 1.00
▸ RAB9A P51151 1/20 1.00
▸ CCR6 P51684 1/20 1.00
▸ CACNA1B Q00975 1/20 1.00
▸ APBA1 Q02410 1/20 1.00
▸ NPSR1 Q6W5P4 1/20 1.00
▸ APOBEC3G Q9HC16 1/20 1.00
▸ G6PD P11413 1/20 0.56
▸ TLR9 Q9NR96 1/20 0.56
▸ MGLL Q99685 3/20 0.51
▸ PPOX P50336 1/20 0.48
▸ TSHR P16473 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL11349809 0.93 ALDH1A1 (0.87) ALDH1A1MAPTHSP90AA1PKMMAPK1
SCHEMBL8728884 0.77 MAPT (0.63) ALDH1A1MAPTHSP90AA1PKMMAPK1
SCHEMBL9154820 0.77 ALDH1A1 (0.63) ALDH1A1MAPTHSP90AA1PKMMAPK1
SCHEMBL24939825 0.74 ALDH1A1 (0.59) ALDH1A1MAPTHSP90AA1PKMMAPK1
SCHEMBL11352324 0.74 G6PD (0.63) ALDH1A1MAPTHSP90AA1PKMMAPK1
SCHEMBL19333571 0.74 HSP90AA1 (0.58) ALDH1A1MAPTHSP90AA1PKMMAPK1
Chloroneb SCHEMBL22739 0.73 GAA (0.64) ALDH1A1MAPTHSP90AA1PKMMAPK1
SCHEMBL31179956 0.73 TLR9 (0.72) ALDH1A1MAPTHSP90AA1PKMMAPK1
SCHEMBL19333574 0.73 MGLL (0.62) ALDH1A1MAPTHSP90AA1PKMMAPK1
SCHEMBL5517048 0.72 GAA (0.64) ALDH1A1MAPTHSP90AA1PKMMAPK1

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
US-4812244-A SULFONATED STYRENE-MALEIMIDE COPOLYMER, SODIUM ACRYLATE-METHACRYLATE COPOLYMER PONY INDUSTRIES, INC. (US) 1989-03-14 — — US disclosed
US-4797450-A PHENYLMALEIMIDES WITH STYRENE FOLLOWED BY SULFONATION ARCO CHEMICAL COMPANY (US) 1989-01-10 — — US disclosed
EP-0143508-A2 Additive for water-base drilling fluid and process ATLANTIC RICHFIELD COMPANY (US) 1985-06-05 — — EP disclosed
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