SCHEMBL11684365

SCHEMBL11684365

CN(C(=O)Cl)C(=O)CCC#N

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1781034 0.78
SCHEMBL11668399 0.73 TSHR (0.48) ALDH1A1TSHRLMNARAB9A
SCHEMBL11688159 0.73 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL8801226 0.70
SCHEMBL10778863 0.70 ALDH1A1 (0.38) ALDH1A1TSHRLMNA
SCHEMBL631678 0.69
SCHEMBL8503912 0.67
SCHEMBL10754214 0.67
SCHEMBL11774841 0.67 TSHR (0.56) ALDH1A1TSHRMEN1KMT2A
SCHEMBL10781425 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4016282-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3980792-A EFFECTIVE AGAINST GRAM-NEGATIVE AND GRAM-POSITIVE INFECTIONS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-14 US disclosed
US-3978223-A UREIDOACETAMIDO-PENICILLINS FOR TREATING BACTERIAL INFECTIONS BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 US disclosed
US-3974140-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3959258-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3939149-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed
US-3936442-A ANTIBIOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US disclosed
US-3933795-A Ureidoacetamido-penicillins Konig, Hans-Bodo (DT) 1976-01-20 US disclosed