Pyrrole

Pyrrole

SCHEMBL8918554

NC(=O)c1cccc2c1Nc1ccccc1S2.c1cc[nH]c1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.43
NOX1 Q9Y5S8 6/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 3/20 0.43
ALOX15 P16050 3/20 0.43
KMT2A Q03164 3/20 0.43
SNCA P37840 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ALOX12 P18054 1/20 0.43
MAOA P21397 1/20 0.43
CNR1 P21554 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL7162110 0.93 NOX1 (0.50) GAANOX1MAPTMEN1ALOX15
SCHEMBL27607313 0.82 NOX1 (0.55) GAANOX1MAPTMEN1ALOX15
Phenothiazine SCHEMBL9835117 0.81 NOX1 (0.59) GAANOX1MAPTMEN1ALOX15
SCHEMBL5362784 0.79 NOX1 (0.52) GAANOX1MAPTMEN1ALOX15
SCHEMBL293434 0.79 ALOX5 (0.54) GAANOX1MAPTMEN1ALOX15
Benzene SCHEMBL28125613 0.79 ALOX5 (0.54) GAANOX1MAPTMEN1ALOX15
SCHEMBL31657639 0.78 NOX1 (0.55) GAANOX1MAPTMEN1ALOX15
SCHEMBL1509833 0.78 NOX1 (0.50) GAANOX1MAPTMEN1ALOX15
SCHEMBL1719765 0.78 NOX1 (0.55) GAANOX1MAPTMEN1ALOX15
SCHEMBL547518 0.77 NOX1 (0.48) GAANOX1MAPTMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624929-A Pyrroloquinoline and pyrrolophenothiazine carboxamides and related compounds PFIZER INC. (US) 1997-04-29 US disclosed
US-5624929-A Pyrroloquinoline and pyrrolophenothiazine carboxamides and related compounds PFIZER INC. (US) 1997-04-29 US disclosed
US-5403839-A Antiinflammatory agents; arthritis; respiratory system disorders PFIZER INC (US) 1995-04-04 US disclosed
US-5403839-A Antiinflammatory agents; arthritis; respiratory system disorders PFIZER INC (US) 1995-04-04 US disclosed
WO-1989008654-A1 PYRROLOQUINOLINE AND PYRROLOPHENOTHIAZINE CARBOXAMIDES AND RELATED COMPOUNDS PFIZER INC. (US) 1989-09-21 WO disclosed
EP-0332364-A2 Pyrroloquinoline and pyrrolophenothiazine carboxamides and related compounds PFIZER INC. (US) 1989-09-13 EP disclosed
EP-0332364-A2 Pyrroloquinoline and pyrrolophenothiazine carboxamides and related compounds PFIZER INC. (US) 1989-09-13 EP disclosed