SCHEMBL16401677

SCHEMBL16401677

CC(C)(N=[N+]=[N-])c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.44
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
KCNN4 O15554 3/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL30663902 0.82 MAPK1 (0.39) PDE2AMAPK1TSHRALDH1A1TAAR1
SCHEMBL17732298 0.78 PDE2A (0.51) PDE2AMAPK1TSHRKMT2ANPSR1
SCHEMBL13711141 0.78 PDE2A (0.46) PDE2AALDH1A1
SCHEMBL27691584 0.78 PDE2A (0.42) PDE2A
SCHEMBL13525385 0.77 PDE2A (0.41) PDE2AMAPK1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL28654444 0.76 NPSR1 (0.36) PDE2AMAPK1TSHRALDH1A1TAAR1
SCHEMBL20484507 0.76 NPSR1 (0.36) PDE2AMAPK1TSHRALDH1A1TAAR1
SCHEMBL28271533 0.76 NPSR1 (0.36) PDE2AMAPK1TSHRALDH1A1TAAR1
SCHEMBL29014067 0.76 NPSR1 (0.36) PDE2AMAPK1TSHRALDH1A1TAAR1
SCHEMBL13634476 0.75 ALDH1A1 (0.36) PDE2AMAPK1ALDH1A1ALOX15ESR1

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
WO-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO disclosed
CN-1934094-A Diaryl substituted heterocyclic 5-membered ring derivatives BANYU PHARMA CO LTD (JP) 2007-03-21 CN disclosed
CN-1241195-A Functionalized polymers INFINEUM HOLDINGS B V (NL) 2000-01-12 CN disclosed