SCHEMBL7718210

SCHEMBL7718210

O=C(O)CC(CN1CCCCC1)C(=O)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
GAA P10253 2/20 0.46
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
TLR9 Q9NR96 1/20 0.42
TNNI3 P19429 1/20 0.42
MAPK1 P28482 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
HTT P42858 2/20 0.40
GFER P55789 2/20 0.40
POLB P06746 1/20 0.40
MITF O75030 1/20 0.40
PAX8 Q06710 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL6862148 0.79 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9198270 0.78 ALDH1A1 (0.57) KMT2AMEN1GAAALDH1A1RAB9A
SCHEMBL7718161 0.77 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7713723 0.76 SLC6A4 (0.43) ALDH1A1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL7718668 0.76 OPRK1 (0.45) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7719212 0.76 SLC6A4 (0.48) ALDH1A1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL7713750 0.74 ALDH1A1 (0.44) KMT2AGAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL7718197 0.74 RAB9A (0.40) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL6862360 0.73 SLC6A4 (0.69) KMT2AALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL7719730 0.73 GSK3B (0.43) KMT2AMEN1ALDH1A1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384063-B1 Compound having effect of promoting neuron differentiation NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-05-07 US disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP disclosed