SCHEMBL7785240

SCHEMBL7785240

Cc1cc(N)ccc1NC(=O)c1ccccc1F.Nc1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TRPV1 Q8NER1 1/20 0.46
PTGS1 P23219 1/20 0.46
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HDAC1 Q13547 1/20 0.41
KCNMA1 Q12791 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL7785239 0.89 CYP1A2 (0.50) MAPTCYP1A2CYP2C9CYP2C19TRPV1
SCHEMBL6814841 0.88 MAPT (0.65) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6814891 0.86 KDM4E (0.55) MAPTTRPV1PTGS1KDM4EKMT2A
SCHEMBL6814369 0.78 MEN1 (0.60) MAPTPTGS1KMT2ASMN1; SMN2HPGD
SCHEMBL26416457 0.76 CYP1A2 (0.52) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7690146 0.76 KDM4E (0.46) MAPTTRPV1PTGS1KDM4EKMT2A
SCHEMBL26416461 0.76 MAPT (0.66) MAPTCYP1A2CYP2C9CYP2C19PTGS1
SCHEMBL31425031 0.75 TRPV1 (0.56) MAPTTRPV1KDM4EKMT2ASMN1; SMN2
SCHEMBL6792699 0.74 MTTP (0.58) MAPTCYP1A2CYP2C9CYP2C19PTGS1
SCHEMBL6819278 0.74 GRM4 (0.62) MAPTCYP1A2CYP2C19TRPV1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed