SCHEMBL8426449

SCHEMBL8426449

CCCCNC(=O)CCN1c2ccccc2Sc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.64
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 3/20 0.60
FNTA P49354 4/20 0.59
FNTB P49356 4/20 0.59
LMNA P02545 1/20 0.57
GFER P55789 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
KDM1A O60341 2/20 0.51
PDF Q9HBH1 2/20 0.50
ALDH1A1 P00352 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 1/20 0.49
PTGS2 P35354 1/20 0.48

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
SCHEMBL8430522 0.92 MAPT (0.63) BCHEMEN1KMT2AMAPTFNTA
SCHEMBL8426332 0.90 FNTA (0.61) BCHEMEN1KMT2AMAPTFNTA
SCHEMBL8426652 0.86 BCHE (0.67) BCHEMEN1KMT2AMAPTLMNA
SCHEMBL8426650 0.82 FNTA (0.61) BCHEMEN1KMT2AMAPTFNTA
SCHEMBL8428563 0.78 BCHE (0.65) BCHEMEN1KMT2AMAPTLMNA
SCHEMBL21081925 0.77 POLB (0.62) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL8435143 0.77 FNTA (0.66) MEN1KMT2AMAPTFNTAFNTB
SCHEMBL31302974 0.76 KDM1A (0.73) MAPTLMNAGFERNPSR1KDM1A
SCHEMBL30628542 0.76 KDM1A (0.73) MAPTLMNAGFERNPSR1KDM1A
SCHEMBL11441982 0.76 MEN1 (0.68) MEN1KMT2AMAPTFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861394-A COMPOUNDS AS ANTIISCHEMIC AGENTS, TREATMENT OF STROKES, ANTIHEMORRHEGENIC AGENTS, ANTIDEPRESSANTS OR TREATMENT OF SICKKLE CELL ANEMIA BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US claimed
US-5861394-A COMPOUNDS AS ANTIISCHEMIC AGENTS, TREATMENT OF STROKES, ANTIHEMORRHEGENIC AGENTS, ANTIDEPRESSANTS OR TREATMENT OF SICKKLE CELL ANEMIA BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US disclosed
EP-0777481-A1 USE OF N-SUBSTITUTED PHENOTHIAZINES BAYER AG (DE) 1997-06-11 EP disclosed
WO-1996005837-A1 USE OF N-SUBSTITUTED PHENOTHIAZINES BAYER AKTIENGESELLSCHAFT (DE) 1996-02-29 WO disclosed