SCHEMBL9755465

SCHEMBL9755465

Cc1nc(C2CCC2)c(C(=O)NC(C#N)c2ccco2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 3/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
IDH1 O75874 6/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAPK1 P28482 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
SCHEMBL8799757 0.83 LMNA (0.51) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL8799762 0.79 MEN1 (0.39) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL9850914 0.76 HSD11B1 (0.39) HSD11B1ALDH1A1CNR1CNR2HSD17B10
SCHEMBL9528349 0.76 ALDH1A1 (0.51) RAB9ASMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL9532579 0.71 RAB9A (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9793870 0.68 GRN (0.44) SMN1; SMN2LMNAALDH1A1HPGDMAPT
SCHEMBL9533252 0.68 HTT (0.35) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL9530946 0.68 MME (0.36) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL9644142 0.68 ALDH1A1 (0.53) RAB9ATP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL10921927 0.67 CYP1A2 (0.48) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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
JP-3190862-A None JP disclosed
JP-H03190862-A AMIDE DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NISSAN CHEM IND LTD 1991-08-20 JP disclosed