SCHEMBL7425569

SCHEMBL7425569

CCCCCOC(=O)c1ccc(NC(=N)N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.66
▸ RECQL P46063 1/20 0.66
▸ MAPT P10636 3/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ TSHR P16473 4/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ CASP1 P29466 1/20 0.57
▸ LMNA P02545 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ PDE4D Q08499 1/20 0.56

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
Hydrochloric Acid SCHEMBL7391354 0.99 HPGD (0.64) HPGDRECQLMAPTNPC1RAB9A
SCHEMBL8162691 0.96 HPGD (0.72) HPGDRECQLMAPTNPC1RAB9A
SCHEMBL5909732 0.84 ALDH1A1 (0.67) HPGDRECQLMAPTNPC1RAB9A
SCHEMBL6339534 0.84 SMN1; SMN2 (0.64) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL18117677 0.83 HPGD (0.62) HPGDRECQLMAPTNPC1RAB9A
SCHEMBL8169533 0.82 ALDH1A1 (0.72) MAPTNPC1RAB9AALDH1A1TSHR
Hydrochloric Acid SCHEMBL11683217 0.82 SMN1; SMN2 (0.62) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL3428262 0.82 HPGD (0.72) HPGDRECQLMAPTNPC1RAB9A
SCHEMBL4913462 0.82 TSHR (0.69) HPGDRECQLMAPTNPC1RAB9A
SCHEMBL1994995 0.82 ALDH1A1 (0.80) HPGDRECQLMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712257-A COMPLEXED WITH SURFACTANT; VIRICIDES; ANTIFERTILITY AGENTS, CONTRACEPTIVES HEM RESEARCH, INC. (US) 1998-01-27 — — US disclosed
EP-0603266-A4 USE OF HALOALKYL DERIVATIVES OF REPORTER MOLECULES TO ANALYZE METABOLIC ACTIVITY IN CELLS. MOLECULAR PROBES INC (US) 1997-01-15 — — EP disclosed
EP-0303516-B1 Topically active compositions of double-stranded RNAs HEM PHARMA CORP (US) 1994-07-06 — — EP disclosed
EP-0603266-A1 USE OF HALOALKYL DERIVATIVES OF REPORTER MOLECULES TO ANALYZE METABOLIC ACTIVITY IN CELLS MOLECULAR PROBES, INC. (US) 1994-06-29 — — EP disclosed
WO-1993004192-A1 USE OF HALOALKYL DERIVATIVES OF REPORTER MOLECULES TO ANALYZE METABOLIC ACTIVITY IN CELLS MOLECULAR PROBES, INC. (US) 1993-03-04 — — WO disclosed
EP-0303516-A2 Topically active compositions of double-stranded RNAs HEM PHARMACEUTICALS CORP. (US) 1989-02-15 — — EP disclosed
US-4423069-A Contraceptive method UNIVERSITY OF ILLINOIS FOUNDATION (US) 1983-12-27 — — US disclosed
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