SCHEMBL6571556

SCHEMBL6571556

CCCCCCCCn1cc(C)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDR P35968 5/20 0.41
SMPD1 P17405 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TBXAS1 P24557 1/20 0.39
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
MGLL Q99685 2/20 0.37
FAAH O00519 1/20 0.37
TLR8 Q9NR97 1/20 0.36
GBA1 P04062 2/20 0.36

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
SCHEMBL294214 1.00 LMNA (0.41) LMNAHTTSMN1; SMN2KDRSMPD1
SCHEMBL9625648 1.00 LMNA (0.41) LMNAHTTSMN1; SMN2KDRSMPD1
SCHEMBL19608592 1.00 LMNA (0.41) LMNAHTTSMN1; SMN2KDRSMPD1
SCHEMBL19159122 0.98 LMNA (0.42) LMNAHTTSMN1; SMN2KDRSMPD1
SCHEMBL299543 0.92 LMNA (0.43) LMNAHTTSMN1; SMN2KDRL3MBTL1
SCHEMBL292775 0.84
SCHEMBL19978685 0.81 LMNA (0.41) LMNAHTTSMN1; SMN2L3MBTL1GBA1
SCHEMBL26748843 0.80 LMNA (0.36) LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL6528006 0.79 ALDH1A1 (0.40) KDRSMPD1L3MBTL1PTGS1PTGS2
SCHEMBL294213 0.79 KDR (0.40) KDRSMPD1L3MBTL1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813526-B1 PROCESS FOR PREPARING N-SUBSTITUTED PYRAZOLES BASF AG (DE) 2004-02-04 EP disclosed
US-5840913-A CATALYTIC N-ALKYLATION OF A PYRAZOLE BY REACTING WITH AN ALCOHOL; LIQUID PHASE; NON-HETEROGENOUS ACID CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed