SCHEMBL28079636

SCHEMBL28079636

CCOc1cc(C(=O)NC2CCCC2)ccc1N

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
APOBEC3G Q9HC16 2/20 0.54
ALDH1A1 P00352 5/20 0.54
LMNA P02545 1/20 0.54
ALOX12 P18054 1/20 0.54
NPC1 O15118 2/20 0.50
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.48
SSTR5 P35346 2/20 0.48
NCEH1 Q6PIU2 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL13575620 0.90 HPGD (0.51) HPGDRAB9ASMN1; SMN2APOBEC3GALDH1A1
SCHEMBL13575616 0.90 BRD4 (0.53) HPGDRAB9ASMN1; SMN2APOBEC3GALDH1A1
SCHEMBL8392994 0.90 RAB9A (0.62) HPGDRAB9ASMN1; SMN2APOBEC3GALDH1A1
SCHEMBL4049573 0.89 SSTR4 (0.51) HPGDRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL3541556 0.88 RAB9A (0.49) HPGDRAB9ASMN1; SMN2APOBEC3GALDH1A1
SCHEMBL13575476 0.88 SSTR5 (0.55) HPGDRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL3541559 0.88 RAB9A (0.49) HPGDRAB9ASMN1; SMN2APOBEC3GALDH1A1
SCHEMBL13175554 0.86 HRH3 (0.55) HPGDRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12825174 0.85 KMT2A (0.57) HPGDRAB9ASMN1; SMN2ALDH1A1ALOX12
SCHEMBL3537704 0.85 SSTR5 (0.47) HPGDRAB9ASMN1; SMN2ALDH1A1LMNA

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
CN-105801582-A Novel dihydro pteridinone derivative, preparing method thereof and application to medicine 合肥工业大学 2016-07-27 CN disclosed