SCHEMBL10816834

SCHEMBL10816834

Cc1ccc(Sc2cc(C)nc3cn[nH]c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.41
▸ HAO1 Q9UJM8 1/20 0.41
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DHFR P00374 1/20 0.37
▸ ICAM1 P05362 5/20 0.35
▸ SELE P16581 5/20 0.35
▸ VCAM1 P19320 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ TYMS P04818 1/20 0.35

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
SCHEMBL10804514 0.90 SLC2A1 (0.40) SLC2A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10805234 0.72 SLC2A1 (0.74) SLC2A1HAO1NPC1SMN1; SMN2MEN1
SCHEMBL20272422 0.71 SLC2A1 (0.47) SLC2A1MEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL28153083 0.69 HAO1 (0.46) HAO1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6850243 0.68 SLC2A1 (0.44) SLC2A1CYP1A2KMT2AHTTPTK2
SCHEMBL10803369 0.68 SLC2A1 (0.44) SLC2A1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL6850410 0.68 HTT (0.47) SLC2A1ALDH1A1HTTPTK2
SCHEMBL18879034 0.66 SLC2A1 (0.56) SLC2A1CYP3A4KDM4EHTTPTK2
SCHEMBL10801863 0.63 SLC2A1 (0.70) SLC2A1NPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL10804993 0.63 SLC2A1 (0.49) SLC2A1SMN1; SMN2MEN1CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0119774-B1 ANTI-INFLAMMATORY PYRAZOLO PYRIDINES BEECHAM GROUP PLC (GB) 1987-06-24 — — EP claimed
US-4559348-A SKIN DISORDERS BEECHAM GROUP, P.L.C. (GB) 1985-12-17 — — US claimed
EP-0119774-A1 Anti-inflammatory pyrazolo pyridines BEECHAM GROUP PLC (GB) 1984-09-26 — — EP claimed
EP-0119774-B1 ANTI-INFLAMMATORY PYRAZOLO PYRIDINES BEECHAM GROUP PLC (GB) 1987-06-24 — — EP disclosed
US-4559348-A SKIN DISORDERS BEECHAM GROUP, P.L.C. (GB) 1985-12-17 — — US disclosed
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