SCHEMBL17642376

SCHEMBL17642376

CCC/[N+](CC)=c1\ccc2c(-c3ccccc3C(=O)OCCCNC(=O)c3ccc(N)cc3)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.49
▸ FPR2 P25090 4/20 0.46
▸ ABCB1 P08183 1/20 0.43
▸ USP2 O75604 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ CFTR P13569 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ GOPC Q9HD26 1/20 0.42
▸ ITPR1 Q14643 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ P2RY6 Q15077 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ NPY4R P50391 3/20 0.40

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
SCHEMBL17635836 0.96 TGM2 (0.53) TGM2FPR2ABCB1USP2MEN1
SCHEMBL17635837 0.86 TGM2 (0.49) TGM2FPR2USP2MEN1POLB
SCHEMBL17635841 0.85 TGM2 (0.49) TGM2FPR2USP2MEN1POLB
SCHEMBL22292200 0.84 USP2 (0.55) TGM2FPR2ABCB1USP2MEN1
Hydrochloric Acid SCHEMBL29539118 0.83 USP2 (0.54) TGM2FPR2ABCB1USP2MEN1
SCHEMBL17409279 0.83 TGM2 (0.53) TGM2FPR2ABCB1USP2MEN1
SCHEMBL13428258 0.83 USP2 (0.53) TGM2FPR2ABCB1USP2MEN1
SCHEMBL18350813 0.83 USP2 (0.53) TGM2FPR2ABCB1USP2MEN1
SCHEMBL14667860 0.83 USP2 (0.53) TGM2FPR2ABCB1USP2MEN1
SCHEMBL17409206 0.83 TGM2 (0.54) TGM2FPR2USP2MEN1POLB

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-2016045782-A1 FLUORESCENT PROTEIN STAINS Universität Heidelberg (DE) 2016-03-31 — — WO disclosed
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