SCHEMBL7623232

SCHEMBL7623232

CCc1nn(C)c(NC(=O)Cc2ccc(Br)cc2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.42
NLRP3 Q96P20 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL7621606 0.84 MAPK1 (0.45) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL8180447 0.82 KMT2A (0.45) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL7623076 0.78 MAPK1 (0.43) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL7319178 0.70 TERT (0.54) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL30034756 0.69 MEN1 (0.83) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL7624995 0.68 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL1656908 0.65 EPHX2 (0.76) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL4764012 0.64 KMT2A (0.65) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL28463612 0.64 CYP2C9 (0.35) LMNANPC1RAB9A
SCHEMBL3324450 0.64 KMT2A (0.59) MEN1KMT2ASMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444612-B1 CONTROLLING PLANT DISEASES CAUSED BY FUNGUS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
CN-1315943-A Use of 5-amino-pyrazol-derivatives for combating micro-organisms BAYER AG (DE) 2001-10-03 CN disclosed
EP-1107956-A2 USE OF 5-AMINO-PYRAZOL-DERIVATIVES FOR COMBATING MICRO-ORGANISMS BAYER AG (DE) 2001-06-20 EP disclosed
US-6100288-A EFFICIENCY; PESTICIDES, AGRICULTURE, STORAGE, HYGIENE BAYER AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
WO-2000011951-A2 USE OF 5-AMINO-PYRAZOL-DERIVATIVES FOR COMBATING MICRO-ORGANISMS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-09 WO disclosed
US-5981566-A FOR CONTROLLING ANIMAL PESTS, IN PARTICULAR INSECTS, ARACHNIDS AND NEMATODES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
US-5843978-A Acylated 5-aminopyrazoles and the use thereof to combat animal parasites BAYER AKTIENGESELLSCHAFT (DE) 1998-12-01 US disclosed
CN-1172479-A Acylated 5-aminopyrrole BAYER AG (DE) 1998-02-04 CN disclosed
EP-0802907-A1 ACYLATED 5-AMINOPYRAZOLES AND THE USE THEREOF TO COMBAT ANIMAL PARASITES BAYER AG (DE) 1997-10-29 EP disclosed
WO-1996021653-A1 ACYLATED 5-AMINOPYRAZOLES AND THE USE THEREOF TO COMBAT ANIMAL PARASITES BAYER AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed