SCHEMBL7914031

SCHEMBL7914031

C=CCNC(=O)c1cc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
RAB9A P51151 2/20 0.60
TP53 P04637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
OPRM1 P35372 7/20 0.53
ACKR3 P25106 1/20 0.53
BCL2L1 Q07817 1/20 0.53
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL8329057 0.80 RAB9A (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5092957 0.79 RAB9A (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL38664814 0.78 HDAC1 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL741039 0.78 HDAC1 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL999904 0.77 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29874896 0.77 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5094626 0.77 RAB9A (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL6370237 0.77 RAB9A (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1193313 0.76 RAB9A (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3605587 0.75 HDAC1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6217642-B1 PROTECTING AN OBJECT FROM FOULING BY THE SPECIES SELECTED FROM THE GROUP CONSISTING OF LEPADOMORPHA, BALANOMORPHA AND SESSILE ENTOMOSTRACA COMPRISING APPLYING TO THE OBJECT BENZOTHIOPHENE-2-CABOXAMIDE S,S-DIOXIDES ANTIFOULING AGENT BAYER AKTIENGESELLSCHAFT (DE) 2001-04-17 US disclosed
EP-0969721-A1 FUNGICIDAL BENZOTHIOPHENE-2-CARBOXAMIDE-S,S-DIOXIDES FOR COOLING LUBRICANTS BAYER AG (DE) 2000-01-12 EP disclosed
US-5994270-A CONTROLLING GAEUMANNOMYCES MONSANTO COMPANY (US) 1999-11-30 US disclosed
WO-1998039968-A1 FUNGICIDAL BENZOTHIOPHENE-2-CARBOXAMIDE-S,S-DIOXIDES FOR COOLING LUBRICANTS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed
EP-0619297-B1 Fungicides for the control of take-all desease of plants MONSANTO CO (US) 1997-06-18 EP disclosed
US-5622546-A Mould-resistant emulsion paints BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
US-5622546-A Mould-resistant emulsion paints BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 EP disclosed