SCHEMBL7719239

SCHEMBL7719239

N#CCC(CN1CCCC1)C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
RAB9A P51151 3/20 0.59
MITF O75030 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 2/20 0.59
ATM Q13315 2/20 0.59
GFER P55789 1/20 0.59
PAX8 Q06710 1/20 0.59
LMNA P02545 4/20 0.53
HIF1A Q16665 2/20 0.53
MAPT P10636 2/20 0.53
NTSR1 P30989 1/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.46
SLC6A2 P23975 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NLRP1 Q9C000 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL7720946 0.99 ALDH1A1 (0.58) ALDH1A1RAB9AMITFSMN1; SMN2HTT
SCHEMBL7717236 0.88 POLB (0.54) ALDH1A1RAB9AMITFSMN1; SMN2HTT
SCHEMBL7719197 0.88 ALDH1A1 (0.71) ALDH1A1RAB9AMITFSMN1; SMN2HTT
SCHEMBL7718161 0.81 ALDH1A1 (0.60) ALDH1A1RAB9AMITFSMN1; SMN2HTT
SCHEMBL14068950 0.81 ALDH1A1 (0.60) ALDH1A1RAB9AMITFSMN1; SMN2HTT
SCHEMBL6862148 0.79 ALDH1A1 (0.58) ALDH1A1RAB9AMITFSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL29380532 0.78 ALDH1A1 (0.61) ALDH1A1RAB9AMITFSMN1; SMN2HTT
SCHEMBL7718745 0.77 ALDH1A1 (0.60) ALDH1A1RAB9AMITFSMN1; SMN2HTT
SCHEMBL29148416 0.76 ALDH1A1 (0.60) ALDH1A1RAB9AMITFSMN1; SMN2HTT
SCHEMBL6325548 0.76 SMN1; SMN2 (0.97) ALDH1A1RAB9AMITFSMN1; SMN2HTT

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