SCHEMBL9005500

SCHEMBL9005500

O=NC(=O)C=Cc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.50
HDAC6 Q9UBN7 7/20 0.50
HDAC8 Q9BY41 6/20 0.50
KDR P35968 2/20 0.50
NPFFR1 Q9GZQ6 2/20 0.49
NPFFR2 Q9Y5X5 2/20 0.49
HDAC3 O15379 6/20 0.47
HDAC4 P56524 6/20 0.47
HDAC2 Q92769 6/20 0.47
HDAC10 Q969S8 6/20 0.47
HDAC5 Q9UQL6 6/20 0.47
APP P05067 2/20 0.45
HDAC7 Q8WUI4 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
HDAC9 Q9UKV0 5/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL9005492 1.00 HDAC1 (0.50) HDAC1HDAC6HDAC8KDRNPFFR1
SCHEMBL5219915 0.83 HDAC1 (0.53) HDAC1HDAC6HDAC8KDRNPFFR1
SCHEMBL5219928 0.83 HDAC1 (0.53) HDAC1HDAC6HDAC8KDRNPFFR1
SCHEMBL6821848 0.83 KDR (0.53) HDAC1HDAC6HDAC8KDRNPFFR1
SCHEMBL6821842 0.83 KDR (0.53) HDAC1HDAC6HDAC8KDRNPFFR1
Hydrochloric Acid SCHEMBL6821851 0.82 HDAC1 (0.52) HDAC1HDAC6HDAC8KDRNPFFR1
SCHEMBL6821096 0.78 APP (0.54) HDAC1HDAC6HDAC8KDRNPFFR1
SCHEMBL6821093 0.78 APP (0.54) HDAC1HDAC6HDAC8KDRNPFFR1
SCHEMBL9005504 0.78 KDR (0.49) HDAC1HDAC6HDAC8KDRNPFFR1
SCHEMBL8997537 0.77 APP (0.59) HDAC1HDAC6HDAC8KDRNPFFR1

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-5585493-A PARASITICIDES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5371231-A Endoparasiticides BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed