SCHEMBL8997233

SCHEMBL8997233

N#Cc1cnn(-c2ccccc2)c1N(C(=O)N(C1CCCCC1)S(N)(=O)=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.40
PTGS2 P35354 6/20 0.40
FPR1 P21462 3/20 0.38
XDH P47989 1/20 0.36
ATM Q13315 1/20 0.36
GFER P55789 1/20 0.36
USP30 Q70CQ3 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8997236 0.78 PTGS1 (0.39) PTGS1PTGS2FPR1XDHATM
SCHEMBL8997240 0.69 PTGS1 (0.48) PTGS1PTGS2FPR1GFER
SCHEMBL8551482 0.68 PTGS2 (0.46) PTGS1PTGS2XDHGFERSMN1; SMN2
SCHEMBL8997223 0.67 XDH (0.46) PTGS1PTGS2XDHGFERSMN1; SMN2
SCHEMBL60939 0.60 KMT2A (0.71) XDHSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10770387 0.59 SMN1; SMN2 (0.48) PTGS1PTGS2XDHGFERSMN1; SMN2
SCHEMBL2925940 0.58 FPR1 (0.64) PTGS2FPR1SMN1; SMN2MEN1KMT2A
SCHEMBL10618154 0.58 PTGS1 (0.68) PTGS1PTGS2XDHGFERLMNA
SCHEMBL10368041 0.58 FPR1 (0.50) FPR1USP30SMN1; SMN2MEN1KMT2A
SCHEMBL13967340 0.58 KMT2A (0.51) PTGS2XDHGFERSMN1; SMN2MEN1

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
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
WO-1992010480-A1 SUBSTITUTED 5-AMINOPYRAZOLS BASF AKTIENGESELLSCHAFT (DE) 1992-06-25 WO disclosed