SCHEMBL9725653

SCHEMBL9725653

O=C(Sc1ccccc1)N(CC=CCl)CC=CCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NPC1 O15118 4/20 0.31
RAB9A P51151 4/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 3/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL9725616 0.80 IDO1 (0.40) ALDH1A1SMN1; SMN2RAB9AHPGDHTT
SCHEMBL6688336 0.73 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9725704 0.70 TP53 (0.56) ALDH1A1SMN1; SMN2HDAC1HDAC6NPSR1
SCHEMBL9473844 0.69 ALDH1A1 (0.42) ALDH1A1HDAC3HDAC1HDAC7HDAC10
SCHEMBL9473837 0.69 ALDH1A1 (0.42) ALDH1A1HDAC3HDAC1HDAC7HDAC10
SCHEMBL9725734 0.69
SCHEMBL9725722 0.68 GAA (0.40) ALDH1A1NPSR1LMNAMAPTKMT2A
SCHEMBL31298108 0.68 GAA (0.49) ALDH1A1SMN1; SMN2HDAC1HDAC6HPGD
SCHEMBL9725655 0.67
SCHEMBL10671522 0.67 TDP1 (0.42) ALDH1A1SMN1; SMN2NPSR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171356-A Thiolcarbamate and nonphytotoxic extender which minimizes soil degradation ICI AMERICAS INC. (US) 1992-12-15 US disclosed
EP-0175332-B1 HERBICIDE COMPOSITIONS OF EXTENDED SOIL LIFE STAUFFER CHEMICAL COMPANY (US) 1992-03-18 EP disclosed