SCHEMBL8427367

SCHEMBL8427367

CCn1ncc(C(=O)c2ccc3c(c2C)OCCS3(=O)=O)c1O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6983233 0.83 LMNA (0.35) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL6723758 0.81 LMNA (0.36) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL7684133 0.80 SMN1; SMN2 (0.33) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8121496 0.78 SMN1; SMN2 (0.32) RAB9ASMN1; SMN2LMNAALDH1A1GAA
SCHEMBL8120654 0.78 RAB9A (0.34) RAB9ASMN1; SMN2LMNA
SCHEMBL8303808 0.76 RAB9A (0.31) RAB9ASMN1; SMN2LMNA
SCHEMBL8134206 0.76 RAB9A (0.33) RAB9ASMN1; SMN2LMNA
SCHEMBL8132414 0.76 SMN1; SMN2 (0.33) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8307021 0.75 PDE4B (0.32) RAB9ASMN1; SMN2LMNA
SCHEMBL8460273 0.75 POLB (0.32) RAB9ASMN1; SMN2LMNA

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
US-5925767-A Pyrazole-4-yl-hetaroyl derivatives as herbicides BASF AKTIENGESELLSCHAFT (DE) 1999-07-20 US disclosed