SCHEMBL17399553

SCHEMBL17399553

CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCC(O)CC3)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.65
▸ MEN1 O00255 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ PPARG P37231 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ NCOR2 Q9Y618 1/20 0.53
▸ CHRM1 P11229 1/20 0.49
▸ AVPR2 P30518 4/20 0.48
▸ FPR2 P25090 4/20 0.48
▸ NPY4R P50391 3/20 0.48
▸ TLR7 Q9NYK1 1/20 0.42
▸ APLNR P35414 2/20 0.42
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ P2RY6 Q15077 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
SCHEMBL18087519 0.91 TGM2 (0.62) TGM2MEN1BLMKMT2AUSP2
SCHEMBL12119403 0.90 TGM2 (0.61) TGM2MEN1BLMKMT2AUSP2
Hydrochloric Acid SCHEMBL13737398 0.89 TGM2 (0.60) TGM2MEN1BLMKMT2AUSP2
SCHEMBL20286053 0.88 TGM2 (0.60) TGM2MEN1BLMKMT2AUSP2
SCHEMBL12870952 0.88 TGM2 (0.60) TGM2MEN1BLMKMT2AUSP2
SCHEMBL18067135 0.87 TGM2 (0.60) TGM2MEN1BLMKMT2AUSP2
SCHEMBL13103120 0.87 TGM2 (0.61) TGM2MEN1BLMKMT2AUSP2
SCHEMBL18732968 0.87 TGM2 (0.61) TGM2MEN1BLMKMT2AUSP2
SCHEMBL13114580 0.86 TGM2 (0.59) TGM2MEN1BLMKMT2AUSP2
SCHEMBL18061544 0.85 TGM2 (0.58) TGM2MEN1BLMKMT2AUSP2

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
EP-1740100-B1 XANTHENE DYES BIOSEARCH TECHNOLOGIES INC (US) 2016-10-12 — — EP disclosed
US-9228225-B2 Xanthene dyes BIOSEARCH TECHNOLOGIES, INC. (US) 2016-01-05 — — US disclosed
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