SCHEMBL9514951

SCHEMBL9514951

Cc1ccccc1-c1c2nc(c(-c3ccccc3C)c3ccc([nH]3)c(-c3ccccc3C)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.58
▸ STAT1 P42224 1/20 0.58
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TERT O14746 3/20 0.37
▸ TRPA1 O75762 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ TOP1 P11387 2/20 0.34
▸ ABCG2 Q9UNQ0 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
SCHEMBL8689812 0.97 STAT3 (0.60) STAT3STAT1NPC1ALDH1A1HPGD
SCHEMBL7260900 0.96 STAT3 (0.56) STAT3STAT1NPC1ALDH1A1HPGD
SCHEMBL27579991 0.95 STAT3 (0.58) STAT3STAT1NPC1ALDH1A1HPGD
SCHEMBL30081960 0.86 TERT (0.46) NPC1ALDH1A1HPGDHTTRAB9A
SCHEMBL5013794 0.85 STAT3 (0.53) STAT3STAT1NPC1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL30945655 0.84 TERT (0.45) NPC1ALDH1A1HPGDHTTRAB9A
SCHEMBL28469388 0.84 TERT (0.45) NPC1ALDH1A1HPGDHTTRAB9A
SCHEMBL30519881 0.83 STAT3 (0.56) STAT3STAT1TERTTOP1
SCHEMBL7260895 0.82 SMN1; SMN2 (0.43) STAT3STAT1NPC1ALDH1A1HPGD
SCHEMBL5011854 0.81 STAT3 (0.60) STAT3STAT1NPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367326-B1 Process for preparing a cycloalkanone and/or cycloalkanol DSM NV (NL) 1993-12-29 — — EP disclosed
EP-0453021-A1 Process for preparing a cycloalkanone and/or cycloalkanol DSM N.V. (NL) 1991-10-23 — — EP disclosed
US-5004837-A Oxidation of cycloalkane STAMICARBON B.V. (NL) 1991-04-02 — — US disclosed
EP-0367326-A1 Process for preparing a cycloalkanone and/or cycloalkanol DSM N.V. (NL) 1990-05-09 — — EP disclosed
Send feedback