SCHEMBL7172001

SCHEMBL7172001

N=C(N)NC(=O)NC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
THPO P40225 1/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.35
CA5A P35218 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9809865 0.91 LMNA (0.33) CRBNTSHRNFKB1CYP1A2LMNA
SCHEMBL146394 0.84
SCHEMBL653996 0.84 CRBN (0.53) CRBNTSHRNFKB1CYP1A2LMNA
SCHEMBL27627394 0.81
SCHEMBL31105859 0.81
SCHEMBL28787237 0.81
Hydrochloric Acid SCHEMBL9797178 0.81
Bromide SCHEMBL10501190 0.81
Ammonia Solution, Strong SCHEMBL27801445 0.81
SCHEMBL29509273 0.81 CRBN (0.50) CRBNTSHRNFKB1CYP1A2LMNA

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
EP-1288238-A1 Compositions of matter having bioactive properties Schmitz, Robert A. (US) 2003-03-05 EP disclosed
US-6299892-B1 INCORPORATING INTO DELIVERY VEHICLES SUITABLE FOR EFFECTING DESIRED ANTIMICROBIAL USE, SOAPS AND DETERGENTS SCHMITZ ROBERT A (US) 2001-10-09 US disclosed
US-3954436-A Reactive tenside soil conditioners NOVEX RT. (HU) 1976-05-04 US disclosed