SCHEMBL11311685

SCHEMBL11311685

O=C(O)C1=C(Cl)CS[C@H]2C(NC(=O)C(c3cccs3)S(=O)(=O)O)C(=O)N12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.60
▸ HSD17B10 Q99714 6/20 0.60
▸ MAPT P10636 6/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ HPGD P15428 4/20 0.60
▸ TDP1 Q9NUW8 4/20 0.60
▸ CYP3A4 P08684 3/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ SLC15A2 Q16348 3/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ NR1I2 O75469 2/20 0.60
▸ CTDSP1 Q9GZU7 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ ADORA3 P0DMS8 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ PTPN11 Q06124 2/20 0.50
▸ MAPK1 P28482 2/20 0.46
▸ BLM P54132 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL11311683 1.00 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11308379 0.89 PTPN11 (0.50) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11308382 0.89 PTPN11 (0.50) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11311339 0.87 ALDH1A1 (0.73) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11306217 0.86 MAPT (0.63) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11306219 0.86 MAPT (0.63) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11235440 0.86 ALDH1A1 (0.75) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11235436 0.86 ALDH1A1 (0.75) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11309561 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11309560 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 — — US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 — — US disclosed
US-4252950-A ANTIBIOTICS, BACTERICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1981-02-24 — — US disclosed
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 — — US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 — — US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 — — US disclosed
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