SCHEMBL8997578

SCHEMBL8997578

C#CCN1C(=O)N(CC#C)C(C)(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
AMY1A P0DUB6 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
POLB P06746 1/20 0.31
CYP19A1 P11511 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL8997644 0.80 ELANE (0.47) MAOAMAOB
SCHEMBL8997581 0.80 ELANE (0.51)
SCHEMBL11532007 0.77 AR (0.44) RAB9APOLBAR
SCHEMBL3022052 0.76 CYP19A1 (0.36) AMY1AMAOAMAOBPOLBCYP19A1
SCHEMBL8445574 0.74 RAB9A (0.35) RAB9A
SCHEMBL3024718 0.72 POLB (0.42) AMY1AMAOAMAOBPOLBCYP19A1
SCHEMBL8997602 0.71 POLB (0.61) POLB
SCHEMBL17160737 0.70 RAB9A (0.33) RAB9A
SCHEMBL11696234 0.67 F2 (0.46) RAB9APOLBAR
SCHEMBL13993295 0.67 AMY1A (0.38) AMY1AMAOAMAOBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572191-B1 N-iodopropargyl hydantoin compounds, compositions, preparation, and use as antimicrobial agents ROHM & HAAS (US) 1996-09-04 EP disclosed
US-5346913-A Agricultural fungicides ROHM AND HAAS COMPANY (US) 1994-09-13 US disclosed
EP-0572191-A1 N-iodopropargyl hydantoin compounds, compositions, preparation, and use as antimicrobial agents ROHM AND HAAS COMPANY (US) 1993-12-01 EP disclosed