SCHEMBL9005576

SCHEMBL9005576

N#CC=Cc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR2 Q9Y5X5 3/20 0.47
NPFFR1 Q9GZQ6 2/20 0.47
NOTUM Q6P988 4/20 0.41
KDR P35968 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAP2K1 Q02750 1/20 0.39
KDM4E B2RXH2 1/20 0.39
IDO1 P14902 2/20 0.38
APP P05067 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
ENPP2 Q13822 1/20 0.38
FDPS P14324 1/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL9005571 1.00 NPFFR2 (0.47) NPFFR2NPFFR1NOTUMKDRHDAC1
SCHEMBL9106606 0.84 AR (0.50) NPFFR2NPFFR1NOTUMKDRHDAC1
SCHEMBL9106595 0.84 AR (0.50) NPFFR2NPFFR1NOTUMKDRHDAC1
SCHEMBL2325460 0.83 NPFFR2 (0.50) NPFFR2NPFFR1NOTUMKDRHDAC1
SCHEMBL2325457 0.83 NPFFR2 (0.50) NPFFR2NPFFR1NOTUMKDRHDAC1
SCHEMBL4716231 0.81 KDM4E (0.40) KDM4EAPPENPP2FDPSCTSS
SCHEMBL4716235 0.81 KDM4E (0.40) KDM4EAPPENPP2FDPSCTSS
SCHEMBL4716233 0.81 KDM4E (0.40) KDM4EAPPENPP2FDPSCTSS
SCHEMBL10734385 0.78 ALDH1A1 (0.48) NPFFR2KDM4EENPP2FDPS
SCHEMBL2779298 0.78 ALDH1A1 (0.48) NPFFR2KDM4EENPP2FDPS

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 4 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-5428049-A Parasiticides BAYER AKTIENGESELLSCHAFT (DE) 1995-06-27 US disclosed
US-5371231-A Endoparasiticides BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
US-4785007-A ANTIDEPRESSANTS, P LABORATOIRES HOECHST S.A. (FR) 1988-11-15 US disclosed