SCHEMBL8924002

SCHEMBL8924002

CS(=O)(=O)O[C@H]1C[C@@H](CSCC(=O)NCC(N)=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR5 P51681 2/20 0.34
GAA P10253 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8695032 1.00 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL8694255 0.92 CCR5 (0.33) ALDH1A1MAPTCCR5GAADPP8
SCHEMBL10699990 0.92 ALDH1A1 (0.37) ALDH1A1MAPTKMT2ACCR5HPGD
SCHEMBL9519504 0.92 ALDH1A1 (0.37) ALDH1A1MAPTKMT2ACCR5HPGD
SCHEMBL8694956 0.89 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL9390647 0.89 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL8925234 0.88 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL8691045 0.88 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL8924394 0.86 HTR2A (0.34) ALDH1A1MAPTCCR5GAADPP8
SCHEMBL8694261 0.86 HTR2A (0.34) ALDH1A1MAPTCCR5GAADPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed
EP-0674640-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP (KR) 1995-10-04 EP disclosed
WO-1994014811-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP. (KR) 1994-07-07 WO disclosed