SCHEMBL14397296

SCHEMBL14397296

CCN(CC)c1ccc2c(-c3ccccc3C(=O)NCCOCCOCCN=[N+]=[N-])c3cc/c(=N/C(C)(Cl)CC)cc-3oc2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.36
▸ FPR2 P25090 4/20 0.35
▸ AVPR2 P30518 1/20 0.35
▸ ABCG2 Q9UNQ0 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ GPR84 Q9NQS5 3/20 0.33
▸ GPR3 P46089 2/20 0.33

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
SCHEMBL14534277 0.81 MEN1 (0.41) TGM2FPR2MEN1USP2POLB
SCHEMBL22963159 0.74 TGM2 (0.53) TGM2FPR2AVPR2MEN1USP2
SCHEMBL18084345 0.72 FPR2 (0.43) TGM2FPR2AVPR2MEN1USP2
SCHEMBL14534275 0.70 ABCB1 (0.54) TGM2FPR2MEN1USP2POLB
SCHEMBL15100480 0.70 ABCB1 (0.53) TGM2FPR2MEN1USP2POLB
SCHEMBL18089788 0.70 P2RY6 (0.58) MEN1BLMKMT2AGBA1HRH3
SCHEMBL13033321 0.70 MEN1 (0.56) TGM2FPR2AVPR2MEN1USP2
SCHEMBL29767723 0.69 P2RY6 (0.68) GBA1HRH3HTR3ACHRM1GPR3
SCHEMBL14553429 0.69 MEN1 (0.44) AVPR2MEN1USP2POLBPPARG
SCHEMBL17662505 0.69 TGM2 (0.53) TGM2FPR2AVPR2MEN1USP2

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
WO-2007112362-A2 CONSTRUCTION OF A MULTIVALENT SCFV THROUGH ALKYNE-AZIDE 1,3-DIPOLAR CYCLOADDITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-04 — — WO disclosed
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