SCHEMBL22016312

SCHEMBL22016312

O=C(CSc1nnnn1-c1ccc(CO)cc1)N1CCc2cc(-c3cccnc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.58
▸ APOBEC3A P31941 1/20 0.58
▸ APOBEC3G Q9HC16 1/20 0.58
▸ CYP11B2 P19099 8/20 0.56
▸ CYP11B1 P15538 5/20 0.56
▸ LMNA P02545 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ALDH1A1 P00352 8/20 0.52
▸ MAPT P10636 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL21952061 0.90 TSHR (0.61) TSHRAPOBEC3AAPOBEC3GCYP11B2CYP11B1
SCHEMBL30278739 0.90 TSHR (0.61) TSHRAPOBEC3AAPOBEC3GCYP11B2CYP11B1
SCHEMBL29798080 0.84 CYP11B2 (0.58) TSHRAPOBEC3AAPOBEC3GCYP11B2CYP11B1
SCHEMBL22016087 0.81 TSHR (0.58) TSHRAPOBEC3AAPOBEC3GLMNAMAPK1
SCHEMBL21952015 0.76 TSHR (0.70) TSHRAPOBEC3AAPOBEC3GLMNAMAPK1
SCHEMBL30278759 0.76 TSHR (0.70) TSHRAPOBEC3AAPOBEC3GLMNAMAPK1
SCHEMBL28669428 0.75 TSHR (0.63) TSHRAPOBEC3AAPOBEC3GLMNAMAPK1
SCHEMBL21952017 0.73 TSHR (0.65) TSHRAPOBEC3AAPOBEC3GLMNAMAPK1
SCHEMBL21952051 0.73 TSHR (0.65) TSHRAPOBEC3AAPOBEC3GLMNAMAPK1
SCHEMBL21951993 0.73 TSHR (0.65) TSHRAPOBEC3AAPOBEC3GLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020099652-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUNDACIÓN PROFESOR NOVOA SANTOS (ES) 2020-05-22 — — WO disclosed
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