SCHEMBL3929786

SCHEMBL3929786

CCC(NC=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.35
TSHR P16473 3/20 0.32
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30

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
SCHEMBL7365418 0.84 MMP1 (0.34) ALDH1A1KMT2ARAB9AMAPTLMNA
SCHEMBL3935406 0.80 ADH1B (0.37) ALDH1A1MAPTADH1BADH1CADH1A
SCHEMBL3925051 0.78 KDM4E (0.33) ALDH1A1MAPTADH1BADH1CADH1A
SCHEMBL5911087 0.77 KMT2A (0.39) ALDH1A1KMT2ARAB9AMAPTLMNA
SCHEMBL3928119 0.77 SIGMAR1 (0.33) ADH1BADH1CADH1A
SCHEMBL5565559 0.76 SMN1; SMN2 (0.40) ALDH1A1KMT2ARAB9AMAPTLMNA
SCHEMBL7185320 0.74 HTT (0.38) ALDH1A1KMT2ARAB9AMAPTLMNA
SCHEMBL3670816 0.73 ALDH1A1 (0.38) ALDH1A1KMT2ARAB9AMAPTLMNA
SCHEMBL15732428 0.73 ALDH1A1 (0.45) ALDH1A1KMT2ARAB9AMAPTLMNA
SCHEMBL15515534 0.72 ALDH1A1 (0.40) ALDH1A1KMT2ARAB9AMAPTLMNA

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
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO claimed
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO disclosed