SCHEMBL9543871

SCHEMBL9543871

CCCCNc1nc2c(cc1C(=O)OCC)CCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
KMT2A Q03164 2/20 0.60
PPARG P37231 1/20 0.60
NCOR2 Q9Y618 1/20 0.60
KDM4E B2RXH2 9/20 0.58
RAB9A P51151 5/20 0.55
LMNA P02545 5/20 0.55
NPC1 O15118 4/20 0.55
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
RXFP1 Q9HBX9 1/20 0.53
HPGD P15428 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL1680790 0.76 KDM4E (0.95) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL7913070 0.76 KDM4E (0.75) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL2900693 0.76 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL10563413 0.75 KDM4E (0.73) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL7902779 0.75 KDM4E (0.73) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL7903030 0.75 KDM4E (0.73) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL2899565 0.75 KDM4E (0.73) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL2894300 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
Dimethylamine SCHEMBL7910311 0.74 KDM4E (0.68) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL9590533 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AKDM4ERAB9A

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-1993018035-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed