SCHEMBL30006499

SCHEMBL30006499

O=C1CC(c2cccc(Cl)c2)c2cc(C(=O)c3ccc(Cl)cc3)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
TP53 P04637 5/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 1/20 0.43
NPC1 O15118 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL1538402 1.00 LMNA (0.58) LMNATP53KMT2AMEN1ATM
SCHEMBL7701639 0.91 TP53 (0.51) LMNATP53KMT2AMEN1ATM
SCHEMBL5657981 0.89 LMNA (0.53) LMNATP53KMT2AMEN1NPC1
SCHEMBL11947177 0.83 MAPK1 (0.48) LMNATP53KMT2AMEN1NPC1
SCHEMBL13177884 0.83 LMNA (0.47) LMNATP53GAAHTTNPSR1
SCHEMBL4371172 0.81 TP53 (0.55) LMNATP53KMT2AMEN1ATM
SCHEMBL880264 0.79 LMNA (0.67) LMNATP53KMT2AMEN1NPC1
SCHEMBL30005837 0.79 LMNA (0.67) LMNATP53KMT2AMEN1NPC1
SCHEMBL880483 0.78 LMNA (0.62) LMNATP53KMT2AMEN1ATM
SCHEMBL5555500 0.76 MEN1 (0.47) TP53KMT2AMEN1ATMMAPT

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
CN-113072490-B High-efficiency synthesis method of tipifarnib quinolinone intermediate 中国海洋大学 2022-08-16 CN claimed
CN-113072490-B High-efficiency synthesis method of tipifarnib quinolinone intermediate 中国海洋大学 2022-08-16 CN disclosed
CN-113072490-B High-efficiency synthesis method of tipifarnib quinolinone intermediate 中国海洋大学 2022-08-16 CN disclosed