SCHEMBL11271850

SCHEMBL11271850

O=C(NCc1ccccc1)NC(=O)c1cccnc1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
NSD2 O96028 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
POLB P06746 2/20 0.52
GLA P06280 1/20 0.52
PPIA P62937 1/20 0.51
LMNA P02545 2/20 0.51
MAPK8 P45983 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ATM Q13315 1/20 0.51
KMT2A Q03164 1/20 0.50
KDR P35968 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EGLN1 Q9GZT9 1/20 0.48

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
SCHEMBL920392 0.89 NSD2 (0.66) NSD2SMN1; SMN2POLBLMNAMAPK8
SCHEMBL7171835 0.81 POLB (0.62) NSD2SMN1; SMN2POLBLMNAMAPK8
SCHEMBL28871455 0.79 HTT (0.55) SMN1; SMN2LMNAALDH1A1KMT2AKDR
SCHEMBL7311399 0.77 KMT2A (0.70) SMN1; SMN2POLBLMNAALDH1A1HPGD
SCHEMBL22092983 0.76 TP53 (0.50) TP53SMN1; SMN2POLBPPIAALDH1A1
SCHEMBL27819658 0.75 POLB (0.60) NSD2SMN1; SMN2POLBLMNAMAPK8
SCHEMBL5009903 0.75 SMN1; SMN2 (0.50) NSD2SMN1; SMN2POLBLMNAMAPK8
SCHEMBL6972329 0.75 SMN1; SMN2 (0.61) SMN1; SMN2POLBLMNAALDH1A1HPGD
SCHEMBL28354844 0.74 KMT2A (0.66) SMN1; SMN2POLBLMNAALDH1A1HPGD
SCHEMBL29516862 0.74 POLB (0.64) SMN1; SMN2POLBLMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004187-B1 HETEROCYCLYLCARBONYL DERIVATIVES OF UREA AND THEIR USE AS AGENTS FOR DISSOLUTION OF GALLSTONES PFIZER INC. (US) 1982-03-17 EP claimed
EP-0004187-A1 Heterocyclylcarbonyl derivatives of urea and their use as agents for dissolution of gallstones PFIZER INC. (US) 1979-09-19 EP claimed
EP-0004187-B1 HETEROCYCLYLCARBONYL DERIVATIVES OF UREA AND THEIR USE AS AGENTS FOR DISSOLUTION OF GALLSTONES PFIZER INC. (US) 1982-03-17 EP disclosed
EP-0004187-A1 Heterocyclylcarbonyl derivatives of urea and their use as agents for dissolution of gallstones PFIZER INC. (US) 1979-09-19 EP disclosed
US-4163784-A ACYLUREA DERIVATIVES PFIZER INC. (US) 1979-08-07 US disclosed