Pyrrole

Pyrrole

SCHEMBL28911468

Cc1cc(O)n(-c2nc(-c3ccccc3)cs2)n1.c1cc[nH]c1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
RAB9A P51151 7/20 0.65
NPC1 O15118 5/20 0.50
GAA P10253 4/20 0.50
MAPK1 P28482 3/20 0.50
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
LDHA P00338 1/20 0.45
KDM4E B2RXH2 2/20 0.42
RECQL P46063 2/20 0.42

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
SCHEMBL12297713 0.93 RAB9A (0.75) MAPTRAB9ANPC1GAAMAPK1
SCHEMBL28911454 0.82 MAPT (0.60) MAPTRAB9ANPC1GAAMAPK1
SCHEMBL28911463 0.82 RAB9A (0.60) MAPTRAB9ANPC1GAAMAPK1
SCHEMBL28911500 0.81 MAPT (0.59) MAPTRAB9ANPC1GAAMAPK1
SCHEMBL29107310 0.81 MAPT (0.59) MAPTRAB9ANPC1GAAMAPK1
SCHEMBL30118260 0.81 MAPT (0.59) MAPTRAB9ANPC1GAAMAPK1
SCHEMBL25329191 0.81 RAB9A (0.59) MAPTRAB9ANPC1GAAMAPK1
SCHEMBL28911475 0.80 MAPT (0.76) MAPTRAB9ANPC1GAAMAPK1
SCHEMBL28911493 0.80 RAB9A (0.57) MAPTRAB9ANPC1GAAMAPK1
SCHEMBL28961182 0.80 RAB9A (0.57) MAPTRAB9ANPC1GAAMAPK1

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
CN-115448915-A SIRT5 inhibitor and preparation method and application thereof 广西师范大学 2022-12-09 CN claimed
CN-115448915-A SIRT5 inhibitor and preparation method and application thereof 广西师范大学 2022-12-09 CN disclosed