SCHEMBL8665035

SCHEMBL8665035

Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCC(O)c1cc2cccnc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 11/20 0.34
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FFAR1 O14842 1/20 0.32
PPARA Q07869 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
ALDH1A1 P00352 3/20 0.31
USP2 O75604 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
GCK P35557 1/20 0.31

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
SCHEMBL8925600 0.82 CCNE1 (0.37) RIPK1HRH4HRH3PPARACCNB2
SCHEMBL8555468 0.75 L3MBTL1 (0.33) ALDH1A1USP2KDM4EGAAMAPT
SCHEMBL8922263 0.72 NR1I2 (0.33) PPARAALDH1A1USP2KDM4EGLA
SCHEMBL8992121 0.70 BRD4 (0.37) PPARAALDH1A1USP2KDM4EGLA
SCHEMBL8665033 0.70 KDM4E (0.30) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL8668167 0.70 DRD2 (0.31) FFAR1DRD2
SCHEMBL8553780 0.70 NPC1 (0.36) FFAR1USP2
SCHEMBL8555533 0.69 KMT2A (0.32) USP2
SCHEMBL8555548 0.69 LMNA (0.40) MAPT
SCHEMBL8603712 0.69 NR1I2 (0.37) ALDH1A1USP2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763461-A ANTIPICORNAVIRAL AGENTS SANOFI (FR) 1998-06-09 US disclosed
US-5618821-A VIRICIDES, PICORNAVIRUS SANOFI, S.A. (FR) 1997-04-08 US disclosed
WO-1995031438-A1 THERAPEUTIC PHENOXYALKYLHETEROCYCLES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed