SCHEMBL9874592

SCHEMBL9874592

NC1Cc2ccc3ccccc3c2[C@@H](Cl)C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.41
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 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
SCHEMBL9515081 1.00 ANPEP (0.41) ANPEPKDM1AALDH1A1MAPTHTT
SCHEMBL9515388 1.00 ANPEP (0.41) ANPEPKDM1AALDH1A1MAPTHTT
SCHEMBL9515024 1.00 ANPEP (0.41) ANPEPKDM1AALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL9516378 0.98 ANPEP (0.40) ANPEPKDM1AALDH1A1MAPTHTT
SCHEMBL9517561 0.77 KDM1A (0.44) ANPEPKDM1AALDH1A1MAPTKMT2A
SCHEMBL9514155 0.77 KDM1A (0.44) ANPEPKDM1AALDH1A1MAPTKMT2A
SCHEMBL9515074 0.77 KDM1A (0.44) ANPEPKDM1AALDH1A1MAPTKMT2A
SCHEMBL9513871 0.74 KDM1A (0.42) ANPEPKDM1ASIGMAR1
SCHEMBL9515297 0.74 KDM1A (0.42) ANPEPKDM1ASIGMAR1
SCHEMBL9514031 0.74 KDM1A (0.42) ANPEPKDM1ASIGMAR1

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
US-5041673-A Aminopeptidase inhibitors, immunomodulators, analgesics MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed