Sugi Predict

Sugi Predict / Compounds / SCHEMBL13376358

SCHEMBL13376358

SCHEMBL13376358

CC(CO)NC(=O)c1cccc(/C=C\CCCN)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PIN1 Q13526 1/20 0.36

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
SCHEMBL2763604 0.90 MAP4K4 (0.41) MAP4K4ATMHPGDALDH1A1
SCHEMBL2763606 0.90 MAP4K4 (0.41) MAP4K4ATMHPGDALDH1A1
SCHEMBL2623659 0.90 MAP4K4 (0.41) MAP4K4ATMHPGDALDH1A1
SCHEMBL2764166 0.88 CNR2 (0.48) ATMALDH1A1LMNASMN1; SMN2
SCHEMBL20810492 0.88 HPGD (0.42) MAP4K4ATMHPGDHDAC3HDAC1
SCHEMBL2764163 0.88 CNR2 (0.48) ATMALDH1A1LMNASMN1; SMN2
SCHEMBL13302517 0.88 CNR2 (0.48) ATMALDH1A1LMNASMN1; SMN2
SCHEMBL17049468 0.87 CNR1 (0.42) MAP4K4ATMHPGDALDH1A1LMNA
SCHEMBL2623657 0.87 CNR1 (0.42) MAP4K4ATMHPGDALDH1A1LMNA
SCHEMBL2763061 0.87 CNR1 (0.42) MAP4K4ATMHPGDALDH1A1LMNA

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
EP-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 — — EP disclosed