SCHEMBL11228073

SCHEMBL11228073

O=C=NCOc1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 2/20 0.47
S1PR4 O95977 4/20 0.47
MRGPRX4 Q96LA9 3/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 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
SCHEMBL2641277 0.78 TDP1 (0.56) TDP1TSHRS1PR4MRGPRX4MAPT
SCHEMBL11090538 0.75 TDP1 (0.53) TDP1TSHRS1PR4MAPTSMN1; SMN2
SCHEMBL11413525 0.74 S1PR4 (0.66) TDP1S1PR4MAPT
SCHEMBL10379872 0.74 TDP1 (0.60) TDP1TSHRS1PR4MRGPRX4MAPT
SCHEMBL11223887 0.74 MAPT (0.55) TDP1TSHRS1PR4MAPTSMN1; SMN2
SCHEMBL3275231 0.72 TDP1 (0.58) TDP1TSHRS1PR4MRGPRX4MAPT
SCHEMBL96583 0.72 MAPT (0.54) TDP1TSHRS1PR4MAPTSMN1; SMN2
SCHEMBL8410383 0.72 TDP1 (0.58) TDP1TSHRS1PR4MAPTSMN1; SMN2
SCHEMBL3402920 0.71 WDR5 (0.47) SMN1; SMN2LMNAPOLBHTT
SCHEMBL12360711 0.71 TDP1 (0.56) TDP1TSHRS1PR4MRGPRX4MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046184-B1 ARYLOXYALKYL ISOCYANATES AND METHODS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1983-11-23 EP disclosed
EP-0046184-A1 Aryloxyalkyl isocyanates and methods for their preparation BASF Aktiengesellschaft (DE) 1982-02-24 EP disclosed