SCHEMBL9700012

SCHEMBL9700012

NC1CCCCC1NC(=O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.53
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
OGG1 O15527 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
MLYCD O95822 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
SCHEMBL9700021 1.00 HDAC4 (0.53) HDAC4HDAC3HDAC1HDAC2MMP2
SCHEMBL10699574 1.00 HDAC4 (0.53) HDAC4HDAC3HDAC1HDAC2MMP2
Hydrochloric Acid SCHEMBL9700004 0.98 HDAC4 (0.52) HDAC4HDAC3HDAC1HDAC2MMP2
Hydrochloric Acid SCHEMBL9698872 0.98 HDAC4 (0.52) HDAC4HDAC3HDAC1HDAC2MMP2
SCHEMBL10699111 0.93 HDAC4 (0.48) HDAC4HDAC3HDAC1HDAC2MMP2
SCHEMBL10698852 0.93 HDAC4 (0.48) HDAC4HDAC3HDAC1HDAC2MMP2
SCHEMBL10701469 0.93 HDAC4 (0.48) HDAC4HDAC3HDAC1HDAC2MMP2
Maleic Acid SCHEMBL10697842 0.92 ALDH1A1 (0.49) HDAC4HDAC3HDAC1HDAC2MMP2
Fumaric Acid SCHEMBL10697856 0.92 ALDH1A1 (0.49) HDAC4HDAC3HDAC1HDAC2MMP2
Fumaric Acid SCHEMBL10697849 0.92 ALDH1A1 (0.49) HDAC4HDAC3HDAC1HDAC2MMP2

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
EP-0224566-A1 ANTIARRHYTHMIC USE FOR AMINOCYCLOALKYLAMIDES THE UPJOHN COMPANY (US) 1987-06-10 EP claimed
WO-1986007257-A2 ANTIARRHYTHMIC USE FOR AMINOCYCLOALKYLAMIDES THE UPJOHN COMPANY (US) 1986-12-18 WO claimed
WO-1992004017-A1 CIS-N-(2-AMINOCYCLOHEXYL)BENZAMIDE AND THEIR ENANTIOMERS AS ANTICONVULSANTS THE UPJOHN COMPANY (US) 1992-03-19 WO disclosed
EP-0263208-A2 Antiarrhythmic use of aminocycloalkylamides THE UPJOHN COMPANY (US) 1988-04-13 EP disclosed
EP-0224566-A1 ANTIARRHYTHMIC USE FOR AMINOCYCLOALKYLAMIDES THE UPJOHN COMPANY (US) 1987-06-10 EP disclosed
WO-1986007257-A2 ANTIARRHYTHMIC USE FOR AMINOCYCLOALKYLAMIDES THE UPJOHN COMPANY (US) 1986-12-18 WO disclosed