SCHEMBL7652545

SCHEMBL7652545

Cn1c(-c2ccccc2)nn(-c2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.49
ADORA2B P29275 2/20 0.47
ADORA2A P29274 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL7658278 0.92 MAPT (0.52) ADORA3MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7657325 0.92 ADORA3 (0.54) ADORA3ADORA2BADORA2AMAPTHIF1A
SCHEMBL7652943 0.88 RPA1 (0.52) ADORA3ADORA2AMEN1KMT2ASMN1; SMN2
SCHEMBL7650590 0.86 KDM4E (0.49) ADORA2AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7649140 0.86 TP53 (0.58) ADORA3ADORA2ASMN1; SMN2MAPTNPC1
SCHEMBL7682175 0.86 ALDH1A1 (0.55) ADORA3MEN1KMT2AMAPTNPC1
SCHEMBL7650966 0.85 ADORA3 (0.45) ADORA3ADORA2AKMT2AMAPTALDH1A1
SCHEMBL7656264 0.84 ALDH1A1 (0.61) ADORA3ADORA2ASMN1; SMN2MAPTRAB9A
SCHEMBL7656778 0.83 HIF1A (0.49) ADORA3ADORA2AMAPTHIF1AALDH1A1
SCHEMBL7659590 0.82 PPP1CA (0.50) ADORA3MAPTCYP1A2CYP2C9CYP2C19

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-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed