SCHEMBL9500435

SCHEMBL9500435

Clc1ccccc1Sc1[c]cccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.40
RHEB Q15382 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
DHFR P00374 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PRMT3 O60678 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL27624861 0.82 HPGD (0.46) RHEBKDM4ENPSR1MAPTALDH1A1
SCHEMBL2423602 0.78
SCHEMBL16581363 0.76 SIRT1 (0.43) LMNAKDM4EL3MBTL1MAPTDHFR
SCHEMBL467564 0.76 HAO1 (0.40) HAO1L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL6639826 0.76 P4HB (0.35) LMNAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL9497761 0.76 LMNA (0.40) LMNALDHA
SCHEMBL11141938 0.76 HAO1 (0.40) HAO1LMNALDHANOTUM
SCHEMBL16581613 0.76 POLB (0.33) ALDH1A1KMT2AHTT
SCHEMBL6915666 0.75 RHEB (0.55) HAO1RHEBPKMLMNAKDM4E
SCHEMBL29543966 0.75 RHEB (0.55) HAO1RHEBPKMLMNAKDM4E

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
CN-105622470-B A kind of preparation method of sulfur-bearing indenone or derivatives thereof 温州大学 2017-11-28 CN disclosed
CN-105622470-A Method for preparing sulfur containing indenone or derivatives thereof UNIV WENZHOU 2016-06-01 CN disclosed
EP-0351332-B1 HERBICIDAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM RHONE-POULENC AGROCHIMIE (FR) 1993-03-24 EP disclosed
EP-0351332-A1 Herbicidal compounds and compositions containing them RHONE-POULENC AGROCHIMIE (FR) 1990-01-17 EP disclosed
US-4414210-A 2-Hydroxyarylethyltriazole fungicides ROHM AND HAAS COMPANY (US) 1983-11-08 US disclosed
US-4413003-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1983-11-01 US disclosed