SCHEMBL11268643

SCHEMBL11268643

CC1(Cc2ccccc2)N=C(c2ccccc2)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 2/20 0.40
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
MYC P01106 4/20 0.38
ELANE P08246 3/20 0.37
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CD O00329 2/20 0.34

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
SCHEMBL19239774 0.91 RAB9A (0.36) ALDH1A1MAPTHPGDATMNPSR1
SCHEMBL24534438 0.84 ALDH1A1 (0.42) ALDH1A1MAPTHPGDATMNPSR1
SCHEMBL7272506 0.82 ELANE (0.40) ALDH1A1ELANEBACE1GAAPIK3CD
SCHEMBL7219255 0.82 ELANE (0.40) ALDH1A1ELANEBACE1GAAPIK3CD
SCHEMBL22505746 0.81 MAPT (0.40) ALDH1A1MAPTHPGDATMNPSR1
SCHEMBL11266004 0.79 MAPT (0.39) ALDH1A1MAPTHPGDATMNPSR1
SCHEMBL11262648 0.78 MAPT (0.38) ALDH1A1MAPTHPGDATMNPSR1
SCHEMBL3384398 0.76 ALDH1A1 (0.46) ALDH1A1MAPTHPGDATMNPSR1
SCHEMBL508332 0.76 ELANE (0.36) ALDH1A1MAPTATMNPSR1KMT2A
Hydrochloric Acid SCHEMBL11729437 0.75 ALDH1A1 (0.45) ALDH1A1MAPTHPGDATMNPSR1

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-4264771-A Alkylation of substituted oxazolinone-(5) compounds BASF AKTIENGESELLSCHAFT (DE) 1981-04-28 US claimed
US-4339589-A Preparation of 4-substituted oxazolidin-5-ones BASF AKTIENGESELLSCHAFT (DE) 1982-07-13 US disclosed
US-4264771-A Alkylation of substituted oxazolinone-(5) compounds BASF AKTIENGESELLSCHAFT (DE) 1981-04-28 US disclosed