SCHEMBL9157985

SCHEMBL9157985

Cc1cc(O)n(CCO)c(=O)c1CS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 1/20 0.35
MAPT P10636 5/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.32
MITF O75030 1/20 0.31
THRB P10828 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL9161398 0.88 KDM4E (0.40) MEN1KMT2AKDM4EHSD17B10MAPT
SCHEMBL8751482 0.87
SCHEMBL9160763 0.86 ALDH1A1 (0.41) KDM4EMAPTALDH1A1LMNA
SCHEMBL4649769 0.85 KDM4E (0.38) KDM4EALDH1A1LMNA
SCHEMBL9162887 0.85 ALDH1A1 (0.43) KMT2AKDM4EHSD17B10MAPTALDH1A1
SCHEMBL6559661 0.85 CYP1A2 (0.36) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL9478649 0.82 RXRA (0.35) ALDH1A1
SCHEMBL17087531 0.82 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL9153890 0.81 TTR (0.32) KDM4EALDH1A1
SCHEMBL11429004 0.81 KDM4E (0.44) MEN1KMT2AKDM4EHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0465829-B1 Reactive azodyes BAYER AG (DE) 1995-01-11 EP disclosed
US-5212289-A REACTIVE AZO DYESTUFFS OBTAINED BY COUPLING DIAZOTIZED ACYLAMINO-AMINOBENZENE SULFONIC ACID COMPOUNDS WITH PYRIDONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1993-05-18 US disclosed
EP-0013936-B1 REACTIVE AZO DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING MATERIALS CONTAINING HYDROXYL GROUPS AND AMIDE GROUPS BAYER AG (DE) 1982-09-22 EP disclosed
US-4299764-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-11-10 US disclosed
US-4039523-A YELLOW CIBA-GEIGY AG (CH) 1977-08-02 US disclosed