SCHEMBL21776957

SCHEMBL21776957

CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CCSC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 3/20 0.48
▸ FNTB P49356 3/20 0.48
▸ KMT2A Q03164 2/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 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
SCHEMBL21776958 1.00 FNTA (0.48) FNTAFNTBKMT2ACRHBPCRHR2
SCHEMBL23699692 0.87 FNTA (0.61) FNTAFNTBCRHBPCRHR2ALDH1A1
SCHEMBL23699693 0.87 FNTA (0.61) FNTAFNTBCRHBPCRHR2ALDH1A1
SCHEMBL21794720 0.84 FNTA (0.49) FNTAFNTBCRHBPCRHR2LMNA
SCHEMBL23712605 0.84 FNTA (0.49) FNTAFNTBCRHBPCRHR2LMNA
SCHEMBL21794788 0.73 CRHBP (0.51) CRHBPCRHR2LMNAALDH1A1MMP1
SCHEMBL1802673 0.73 CRHBP (0.60) CRHBPCRHR2LMNAALDH1A1
SCHEMBL28042132 0.72 CRHBP (0.55) KMT2ACRHBPCRHR2LMNAHPGD
SCHEMBL21794878 0.70 LMNA (0.49) KMT2ACRHBPCRHR2LMNAALDH1A1
Hydrochloric Acid SCHEMBL23699686 0.70 PPID (0.47) FNTAFNTBALDH1A1

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-3843841-A1 COMPOUNDS FOR THE MODULATION OF CYCLOPHILINS FUNCTION The University Court Of The University of Edinburgh (GB) 2021-07-07 — — EP disclosed
WO-2020043831-A1 COMPOUNDS FOR THE MODULATION OF CYCLOPHILINS FUNCTION THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2020-03-05 — — WO disclosed
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