SCHEMBL11736974

SCHEMBL11736974

CS(=O)(=O)N1CCN(C(=O)NC(C(=O)O)c2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ GAA P10253 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KCNJ1 P48048 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RPLP1 P05386 1/20 0.34
▸ RPLP0 P05388 1/20 0.34

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
SCHEMBL11730520 0.85 FOLH1 (0.40) ALDH1A1GAAKMT2AMEN1CA1
SCHEMBL11734338 0.85 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1LMNA
SCHEMBL10674321 0.85 SMN1; SMN2 (0.41) ALDH1A1GAAKMT2AMEN1CA1
SCHEMBL10759071 0.85 SMN1; SMN2 (0.41) ALDH1A1GAAKMT2AMEN1CA1
SCHEMBL11731360 0.84 MAPT (0.40) MAPTALDH1A1GAAMMP1MMP2
SCHEMBL11729486 0.84 CACNA2D1 (0.35) ALDH1A1KMT2AMEN1NPC1LMNA
SCHEMBL11732685 0.81 CA1 (0.35) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL11696848 0.80 LMNA (0.40) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL11729800 0.80 ALDH1A1 (0.43) MAPTALDH1A1KMT2AMEN1CA1
SCHEMBL11734433 0.79 SMN1; SMN2 (0.39) ALDH1A1GAAKMT2AMEN1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4009272-A ANTIBIOTIC BAYER AKTIENGESELLSCHAFT (DT) 1977-02-22 — — US disclosed
US-3983105-A Penicillins BAYER AKTIENGESELLSCHAFT (DT) 1976-09-28 — — US disclosed
US-3978056-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 — — US disclosed
US-3975375-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 — — US disclosed
US-3974142-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 — — US disclosed
US-3974141-A IMIDAZOLIDINYL-CARBAMIDOBACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 — — US disclosed
US-3972869-A Penicillins BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 — — US disclosed
US-3972870-A IMIDAZOLIDINYL-CARBAMIDO-BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 — — US disclosed
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