SCHEMBL6969670

SCHEMBL6969670

Cc1nn(-c2cccc(F)c2)c(C)c1NC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.55
LMNA P02545 6/20 0.54
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PAX8 Q06710 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
ESR2 Q92731 1/20 0.47
NOTUM Q6P988 1/20 0.47
MAPT P10636 1/20 0.47
KLK6 Q92876 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
SCHEMBL23558112 0.75 SMN1; SMN2 (0.65) P2RX7ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL6956742 0.75 ALDH1A1 (0.69) LMNAALDH1A1SMN1; SMN2HTTCYP1A2
SCHEMBL5087248 0.75 MAPK14 (0.68)
SCHEMBL20037120 0.75 KLK6 (0.81) LMNAALDH1A1SMN1; SMN2RAB9AKLK6
SCHEMBL20551408 0.74 HPGD (0.54) P2RX7SMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL6070540 0.74 PDE4D (0.72) ALDH1A1NPC1RAB9ANPSR1POLB
SCHEMBL20037317 0.73 LMNA (0.63) P2RX7LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL20037308 0.73 ALDH1A1 (0.59) LMNAALDH1A1SMN1; SMN2HTTCYP1A2
SCHEMBL6413900 0.71 KMT2A (0.54) LMNAALDH1A1KMT2AMEN1NOTUM
SCHEMBL20037309 0.71 LMNA (0.77) LMNAALDH1A1SMN1; SMN2HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed