SCHEMBL21670093

SCHEMBL21670093

[N-]=[N+]=Nc1ccc2c3c(cccc13)C(=O)N(N=[N+]=[N-])C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.37
▸ MEN1 O00255 7/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ USP2 O75604 4/20 0.37
▸ KEAP1 Q14145 4/20 0.37
▸ NFE2L2 Q16236 4/20 0.37
▸ POLB P06746 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ ATM Q13315 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ ERCC1 P07992 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ ERCC4 Q92889 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PRMT1 Q99873 1/20 0.35
▸ CYP1B1 Q16678 4/20 0.35

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
SCHEMBL14329987 0.84 KMT2A (0.55) KMT2AMEN1KDM4EALDH1A1USP2
SCHEMBL19465787 0.82 KMT2A (0.39) KMT2AMEN1KDM4EALDH1A1USP2
SCHEMBL27805161 0.82 ALDH1A1 (0.44) KMT2AMEN1KDM4EALDH1A1USP2
SCHEMBL30003710 0.81 CYP1B1 (0.58) KMT2AMEN1KDM4EALDH1A1USP2
SCHEMBL15886144 0.81 CYP1B1 (0.58) KMT2AMEN1KDM4EALDH1A1USP2
SCHEMBL30211961 0.79 TYMS (0.51) KMT2AMEN1KDM4EALDH1A1USP2
SCHEMBL28566950 0.79 HEXA (0.57) KMT2AMEN1KDM4EALDH1A1USP2
SCHEMBL27193093 0.78 ERCC1 (0.53) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL14323672 0.78 MEN1 (0.53) KMT2AMEN1KDM4EALDH1A1USP2
SCHEMBL16085321 0.78 ALDH1A1 (0.61) KMT2AMEN1KDM4EALDH1A1USP2

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
CN-108780087-B Ratiometric sensing compounds and devices made therefrom 高露洁-棕榄公司 2021-11-26 — — CN disclosed
EP-3417288-B1 RATIOMETRIC SENSING COMPOUND AND RELATED RATIOMETRIC SENSOR COLGATE PALMOLIVE CO (US) 2020-02-12 — — EP disclosed
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