SCHEMBL3955552

SCHEMBL3955552

CN1CCC(NC(=O)c2cccnc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MAPT P10636 1/20 0.62
RAB9A P51151 1/20 0.61
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.55
HRH2 P25021 1/20 0.55
HRH1 P35367 1/20 0.55
WNT1 P04628 2/20 0.54
DYRK1A Q13627 2/20 0.54
GRM5 P41594 1/20 0.53
MMP2 P08253 2/20 0.53
ANPEP P15144 2/20 0.53
KDM5A P29375 1/20 0.53
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD4 P21917 1/20 0.50

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
SCHEMBL30365687 1.00 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTRAB9AHTT
SCHEMBL10224770 0.93 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPTRAB9AHTT
SCHEMBL357738 0.93 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPTRAB9AHTT
SCHEMBL28683089 0.91 SMN1; SMN2 (0.59) ALDH1A1L3MBTL1MAPTRAB9AHTT
SCHEMBL1116630 0.87 ALDH1A1 (0.78) ALDH1A1L3MBTL1MAPTRAB9AHTT
SCHEMBL14082548 0.86 DYRK1A (0.63) RAB9ASMN1; SMN2WNT1DYRK1AKMT2A
SCHEMBL10212594 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTRAB9AHTT
SCHEMBL8863594 0.85 ALDH1A1 (0.64) ALDH1A1L3MBTL1MAPTRAB9AHTT
SCHEMBL3427705 0.84 ALDH1A1 (0.74) ALDH1A1L3MBTL1MAPTRAB9AHTT
SCHEMBL3427969 0.84 ALDH1A1 (0.70) ALDH1A1L3MBTL1MAPTRAB9AHTT

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-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed