SCHEMBL11046700

SCHEMBL11046700

O=C(CCC[S+]([O-])C(c1ccccc1)c1ccccc1)NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.53
HDAC8 Q9BY41 13/20 0.53
HDAC2 Q92769 9/20 0.53
HDAC3 O15379 7/20 0.53
HDAC6 Q9UBN7 6/20 0.53
HDAC5 Q9UQL6 4/20 0.53
NCOR2 Q9Y618 5/20 0.52
ALOX5 P09917 1/20 0.50
HDAC4 P56524 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
KDM4E B2RXH2 1/20 0.46
BRD4 O60885 1/20 0.46
NCOR1 O75376 1/20 0.46
NR1I2 O75469 1/20 0.46
EGFR P00533 1/20 0.46
CYP3A4 P08684 1/20 0.46
LTA4H P09960 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
SCHEMBL11439134 0.91 HDAC2 (0.50) HDAC1HDAC8HDAC2HDAC3HDAC6
Adrafinil SCHEMBL49334 0.81 HDAC8 (0.47) HDAC1HDAC8HDAC2HDAC3HDAC6
Adrafinil SCHEMBL4291451 0.81 HDAC8 (0.47) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL11437442 0.80 HDAC1 (0.53) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL19385885 0.74 CA12 (0.45) KDM4E
SCHEMBL19385886 0.74 CA12 (0.45) KDM4E
SCHEMBL10937730 0.74 CNR2 (0.47) HDAC8HDAC6HDAC5HDAC4HDAC7
SCHEMBL10952669 0.73 HTR2A (0.50) CYP3A4
SCHEMBL11637982 0.73 KDM1A (0.34)
Hydrochloric Acid SCHEMBL11639503 0.72 KDM1A (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4489095-A PSYCHOTONIC AND ANTIAGGRESSION AGENTS LABORATOIRE L. LAFON (FR) 1984-12-18 US disclosed
US-4225617-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-09-30 US disclosed
US-4209524-A CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4209523-A TREATMENT OF THE CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4183951-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-01-15 US disclosed
US-4152458-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1979-05-01 US disclosed
US-4151300-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC LABORATOIRE L. LAFON (FR) 1979-04-24 US disclosed
US-4127722-A CNS DISORDERS LABORATOIRE L. LAFON (FR) 1978-11-28 US disclosed
US-4122186-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1978-10-24 US disclosed
US-4098824-A THERAPY FOR CNS LABORATOIRE L. LAFON (FR) 1978-07-04 US disclosed