SCHEMBL4751885

SCHEMBL4751885

Cc1ccc(N=NNc2ccc3ccccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 2/20 0.49
CYP1B1 Q16678 4/20 0.46
CYP1A1 P04798 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
CYP2A6 P11509 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TMPRSS2 O15393 1/20 0.41

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
SCHEMBL6665397 0.86 CYP1B1 (0.62) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL22062131 0.86 MEN1 (0.50) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL6665400 0.86 CYP1B1 (0.62) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL9655209 0.80 RAB9A (0.67) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL22062152 0.80 RAB9A (0.67) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2003780 0.80 RAB9A (0.67) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL4751886 0.77 ALDH1A1 (0.41) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL7770381 0.77 ALDH1A1 (0.41) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL12412467 0.77 NPC1 (0.66) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL22062049 0.76 TDP1 (0.49) NPC1RAB9AALDH1A1HPGDSMN1; SMN2

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
WO-2008132613-A1 HYGIENE TRAINING DEVICE AND METHOD KIMBERLY-CLARK WORLDWIDE, INC. (US) 2008-11-06 WO disclosed