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Sugi Predict / Compounds / SCHEMBL14572001

SCHEMBL14572001

SCHEMBL14572001

CCn1cncc1-c1c2nc(c(-c3nccn3CC)c3ccc([nH]3)c(-c3nccn3CC)c3nc(c(-c4nccn4CC)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 16/20 0.39
▸ HTR1A P08908 13/20 0.39
▸ TERT O14746 1/20 0.38
▸ HTR6 P50406 16/20 0.36
▸ DRD2 P14416 4/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ IDO1 P14902 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
SCHEMBL1410192 0.88 TERT (0.46) TERT
Hydrochloric Acid SCHEMBL5623001 0.77 TERT (0.40) HTR7HTR1ATERTHTR6HTR2A
Hydrochloric Acid SCHEMBL5622998 0.77 TERT (0.40) HTR7HTR1ATERTHTR6HTR2A
SCHEMBL1410197 0.70 TERT (0.43) HTR7HTR1ATERTHTR6DRD2
SCHEMBL1410106 0.70 TERT (0.43) TERT
SCHEMBL9998554 0.69 TERT (0.36) TERT
Hydrochloric Acid SCHEMBL5623006 0.68 TERT (0.41) TERT
Hydrochloric Acid SCHEMBL1409803 0.68 TERT (0.49) TERT
SCHEMBL12836952 0.64 KDM4E (0.36) TERT
SCHEMBL7717047 0.63 TERT (0.37) TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189707-B2 Substituted porphyrins NATIONAL JEWISH MEDICAL RESEARCH CENTER (US) 2007-03-13 — — US disclosed
US-7189707-B2 Substituted porphyrins NATIONAL JEWISH MEDICAL RESEARCH CENTER (US) 2007-03-13 — — US disclosed
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