SCHEMBL8997211

SCHEMBL8997211

CC(=O)N(Cl)c1c(C#N)cnn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.38
HTT P42858 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
CYP11B2 P19099 1/20 0.33
F2 P00734 1/20 0.32
KMT2A Q03164 1/20 0.32
XDH P47989 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL20540301 0.78 MAPT (0.45) MAPTPOLBHTTSMN1; SMN2CYP1A2
SCHEMBL10937853 0.77 P2RX7 (0.32) KMT2A
SCHEMBL6326170 0.71 POLB (0.37) MAPTPOLBHTTSMN1; SMN2CYP1A2
SCHEMBL6326173 0.68 POLB (0.35) MAPTPOLBHTTSMN1; SMN2CYP1A2
SCHEMBL6174901 0.67 POLB (0.41) MAPTPOLBHTTSMN1; SMN2CYP1A2
SCHEMBL8997262 0.67 CYP1A2 (0.38) MAPTPOLBHTTSMN1; SMN2CYP1A2
SCHEMBL4520111 0.66
SCHEMBL4349408 0.66
SCHEMBL11091434 0.65 MAPK1 (0.48) MAPTHTTSMN1; SMN2HPGDMAPK1
SCHEMBL11094408 0.65 KDM4E (0.35) CYP11B2KMT2AXDHKDM4EPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561836-A1 SUBSTITUTED 5-AMINOPYRAZOLS BASF Aktiengesellschaft (DE) 1993-09-29 EP claimed
WO-1992010480-A1 SUBSTITUTED 5-AMINOPYRAZOLS BASF AKTIENGESELLSCHAFT (DE) 1992-06-25 WO claimed
US-5486618-A PLANT SAFENING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-01-23 US disclosed
US-5486618-A PLANT SAFENING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-01-23 US disclosed
EP-0561836-A1 SUBSTITUTED 5-AMINOPYRAZOLS BASF Aktiengesellschaft (DE) 1993-09-29 EP disclosed
EP-0561836-A1 SUBSTITUTED 5-AMINOPYRAZOLS BASF Aktiengesellschaft (DE) 1993-09-29 EP disclosed
WO-1992010480-A1 SUBSTITUTED 5-AMINOPYRAZOLS BASF AKTIENGESELLSCHAFT (DE) 1992-06-25 WO disclosed
WO-1992010480-A1 SUBSTITUTED 5-AMINOPYRAZOLS BASF AKTIENGESELLSCHAFT (DE) 1992-06-25 WO disclosed