SCHEMBL17635841

SCHEMBL17635841

CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCCCNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.49
▸ AVPR2 P30518 7/20 0.45
▸ FPR2 P25090 4/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ CHRM1 P11229 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ GBA1 P04062 2/20 0.41
▸ ITPR1 Q14643 1/20 0.41
▸ OXTR P30559 1/20 0.39

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
Hydrochloric Acid SCHEMBL17626403 0.91 TGM2 (0.53) TGM2AVPR2FPR2MEN1USP2
SCHEMBL17635837 0.90 TGM2 (0.49) TGM2AVPR2FPR2MEN1USP2
SCHEMBL17635836 0.89 TGM2 (0.53) TGM2AVPR2FPR2MEN1USP2
SCHEMBL17642376 0.85 TGM2 (0.49) TGM2AVPR2FPR2MEN1USP2
SCHEMBL17409279 0.83 TGM2 (0.53) TGM2AVPR2FPR2MEN1USP2
SCHEMBL22292200 0.82 USP2 (0.55) TGM2AVPR2FPR2MEN1USP2
SCHEMBL17409206 0.82 TGM2 (0.54) TGM2AVPR2FPR2MEN1USP2
SCHEMBL10123979 0.82 USP2 (0.58) TGM2AVPR2FPR2MEN1USP2
SCHEMBL17693127 0.81 USP2 (0.53) TGM2AVPR2FPR2MEN1USP2
Hydrochloric Acid SCHEMBL29539118 0.81 USP2 (0.54) TGM2AVPR2FPR2MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016045782-A1 FLUORESCENT PROTEIN STAINS Universität Heidelberg (DE) 2016-03-31 — — WO disclosed
EP-3001197-A1 Fluorescent protein stains Universität Heidelberg (DE) 2016-03-30 — — EP disclosed
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