SCHEMBL4414780

SCHEMBL4414780

CCc1ccc(NC(C)=O)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
MAOA P21397 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 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
SCHEMBL27849573 0.85 CA1 (0.58) CA1CA2CA9KMT2ARXFP1
SCHEMBL12598866 0.84 CA1 (0.50) CA1CA2CA9RXFP1RAB9A
SCHEMBL11494174 0.83 CA1 (0.53) CA1CA2CA9KMT2AMEN1
SCHEMBL16386159 0.82 RAB9A (0.47) KMT2ARAB9ANPC1ALDH1A1MAPT
SCHEMBL11209714 0.82 CA1 (0.51) CA1CA2CA9KMT2ARXFP1
SCHEMBL13978694 0.81 CA1 (0.50) CA1CA2CA9KMT2AMEN1
SCHEMBL92190 0.81 POLB (0.62) CA1CA2CA9KMT2AMEN1
SCHEMBL7903540 0.81 ESR1 (0.52) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL25085625 0.79 HDAC1 (0.55) CA1CA2CA9RAB9ANPC1
SCHEMBL11133278 0.79 CA1 (0.54) CA1CA2CA9KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP claimed
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
US-6743790-B2 A UREA OR THIOUREA DERIVATIVES CONTAINING AMIDE GROUP USEFUL AS ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
EP-1299354-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2003-04-09 EP disclosed
WO-2001094301-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-13 WO disclosed