SCHEMBL6932060

SCHEMBL6932060

NC(=O)c1ccc(NC(=O)CBr)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
TP53 P04637 1/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL15267699 0.85 KMT2A (0.60) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL6934236 0.82 CA1 (0.58) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL3911049 0.82 CA12 (0.54) ALDH1A1KMT2AMEN1POLBTP53
SCHEMBL7189672 0.82 KMT2A (0.49) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL1561725 0.81 MEN1 (0.56) L3MBTL1KMT2AMEN1POLBKDM4E
SCHEMBL7687241 0.81 MAPT (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL6930363 0.81 CA1 (0.56) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL7753639 0.81 NPC1 (0.59) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL7895751 0.81 ALDH1A1 (0.64) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL6932064 0.80 MAPT (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT

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
EP-0859000-B1 Isoxazole amide and crotonamid derivatives and drug and diagnostic uses thereof AVENTIS PHARMA GMBH (DE) 2003-01-22 EP claimed
US-5977151-A ANTITUMOR HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-02 US claimed
WO-2023226241-A1 PHENYLACETAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 湖南省农业生物技术研究所 2023-11-30 WO disclosed
WO-2020127508-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
US-6265588-B1 USE AS PHARMACEUTICALS; AS AN ANTIGEN FOR PRODUCTION OF ANTIBODIES AND IN DIAGNOSIS AND PURIFICATION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-07-24 US disclosed
US-6121479-A ANTIINFLAMMATORY AND ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed
US-5977151-A ANTITUMOR HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-02 US disclosed