SCHEMBL9684905

SCHEMBL9684905

CC(=O)NCc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)/C(=N\O)c4csc(N)n4)[C@H]3SC2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.60
▸ PGR P06401 2/20 0.60
▸ TDP1 Q9NUW8 8/20 0.58
▸ MAPT P10636 6/20 0.58
▸ ABCC4 O15439 3/20 0.58
▸ CNR1 P21554 1/20 0.58
▸ CTDSP1 Q9GZU7 1/20 0.58
▸ HTR2C P28335 1/20 0.57
▸ PPARG P37231 2/20 0.57
▸ SLC22A6 Q4U2R8 2/20 0.57
▸ SLC22A8 Q8TCC7 2/20 0.57
▸ SLC22A11 Q9NSA0 2/20 0.57
▸ ALB P02768 1/20 0.57
▸ DAO P14920 1/20 0.57
▸ SNCA P37840 1/20 0.57
▸ CYP2J2 P51589 1/20 0.57
▸ KMT2A Q03164 1/20 0.54
▸ APEX1 P27695 4/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50

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
SCHEMBL8649779 0.93 NR1I2 (0.71) NR1I2PGRTDP1MAPTABCC4
SCHEMBL9682735 0.89 NR1I2 (0.64) NR1I2PGRTDP1MAPTABCC4
SCHEMBL5972677 0.89 NR1I2 (0.64) NR1I2PGRTDP1MAPTABCC4
SCHEMBL9682740 0.89 NR1I2 (0.64) NR1I2PGRTDP1MAPTABCC4
SCHEMBL10422474 0.86 MAPT (0.60) NR1I2PGRTDP1MAPTABCC4
SCHEMBL11374304 0.86 TDP1 (0.62) NR1I2PGRTDP1MAPTCTDSP1
SCHEMBL11462677 0.85 NR1I2 (0.74) NR1I2PGRTDP1MAPTABCC4
SCHEMBL11462676 0.85 NR1I2 (0.74) NR1I2PGRTDP1MAPTABCC4
SCHEMBL9684927 0.85 NR1I2 (0.74) NR1I2PGRTDP1MAPTABCC4
Hydrochloric Acid SCHEMBL11461005 0.84 NR1I2 (0.73) NR1I2PGRTDP1MAPTABCC4

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-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 — — US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 — — US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 — — US disclosed
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