SCHEMBL8997219

SCHEMBL8997219

Cn1ncc(C#N)c1NC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
HPGD P15428 2/20 0.57
ALDH1A1 P00352 4/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAP2K1 Q02750 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
BLM P54132 2/20 0.44
SAE1 Q9UBE0 2/20 0.44
UBA2 Q9UBT2 2/20 0.44

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
SCHEMBL8997249 0.86 CYP1A2 (0.56) PTGS1PTGS2HPGDALDH1A1TP53
SCHEMBL20540355 0.82 SMN1; SMN2 (0.54) PTGS1PTGS2HPGDALDH1A1TP53
SCHEMBL23087216 0.78 MEN1 (0.66) ALDH1A1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL8997267 0.75 CYP3A4 (0.51) HPGDALDH1A1TP53SMN1; SMN2CYP1A2
SCHEMBL8997215 0.74 PTGS1 (0.55) PTGS1PTGS2HPGDALDH1A1TP53
SCHEMBL4173369 0.73 PTGS1 (0.60) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL20539675 0.71 HPGD (0.41) HPGDALDH1A1TP53SMN1; SMN2CYP1A2
SCHEMBL14281213 0.71 MEN1 (0.60) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL10618154 0.69 PTGS1 (0.68) PTGS1PTGS2HPGDLMNAPOLB
SCHEMBL1343798 0.69 KDM4E (0.63) HPGDALDH1A1TP53SMN1; SMN2CYP1A2

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