SCHEMBL8577834

SCHEMBL8577834

COc1ccc(CCCNC(N)=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
F2RL1 P55085 1/20 0.54
GLA P06280 1/20 0.54

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
SCHEMBL7924560 0.90 SMN1; SMN2 (0.73) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL27446239 0.85 SMN1; SMN2 (0.81) POLBSMN1; SMN2
SCHEMBL17198866 0.84 POLB (0.55) POLBSMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28484534 0.83 POLB (0.54) POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL28850813 0.82 MTNR1A (0.77) KMT2AMEN1
SCHEMBL10422980 0.82 POLB (0.74) POLBKMT2AALDH1A1
SCHEMBL29991337 0.82 MTNR1A (0.77) KMT2AMEN1
SCHEMBL10519203 0.82 POLB (0.57) POLBSMN1; SMN2KMT2A
SCHEMBL10841849 0.81 MTNR1A (0.62) SMN1; SMN2KMT2AALDH1A1
SCHEMBL25335984 0.81 CYP2D6 (0.68) POLBSMN1; SMN2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719279-A CHOLINOMIMETICS BOEHRINGER INGELHEIM KG (DE) 1998-02-17 US disclosed