SCHEMBL29368182

SCHEMBL29368182

CCCC[C@@H](Cc1cccc(OC)c1)NC(=O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CTSK P43235 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
PKM P14618 2/20 0.45
RAB9A P51151 2/20 0.45
LPAR3 Q9UBY5 1/20 0.45
KMT2A Q03164 3/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
DRD3 P35462 1/20 0.44
MME P08473 1/20 0.44
MITF O75030 1/20 0.44
AGTR1 P30556 1/20 0.44

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
SCHEMBL22441390 1.00 GRM4 (0.53) GRM4TAS1R3TAS1R1LMNAHTT
SCHEMBL22441388 1.00 GRM4 (0.53) GRM4TAS1R3TAS1R1LMNAHTT
SCHEMBL22458106 0.84 GRM4 (0.51) GRM4LMNAHTTKDM4ESMN1; SMN2
SCHEMBL29368864 0.84 TAS1R3 (0.61) TAS1R3TAS1R1LMNACTSKSMN1; SMN2
SCHEMBL22441336 0.82 TAS1R3 (0.54) TAS1R3TAS1R1LMNACTSKMAPT
SCHEMBL22441339 0.82 TAS1R3 (0.54) TAS1R3TAS1R1LMNACTSKMAPT
SCHEMBL29368654 0.82 TAS1R3 (0.54) TAS1R3TAS1R1LMNACTSKMAPT
SCHEMBL22441315 0.82 TP53 (0.53) TAS1R3TAS1R1KDM4ECTSKSMN1; SMN2
SCHEMBL22441316 0.82 TP53 (0.53) TAS1R3TAS1R1KDM4ECTSKSMN1; SMN2
SCHEMBL22441265 0.81 CTSK (0.52) TAS1R3TAS1R1KDM4ECTSKLPAR3

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-114008024-A Compounds having iron death inducing activity and methods of using the same 费罗治疗公司 2022-02-01 CN disclosed