SCHEMBL8426650

SCHEMBL8426650

CCCNC(=O)CCN1c2ccccc2Sc2ccc(Cl)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.61
FNTB P49356 1/20 0.61
ITGB2 P05107 1/20 0.56
ICAM1 P05362 1/20 0.56
ITGAL P20701 1/20 0.56
MAPT P10636 6/20 0.54
LMNA P02545 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
CYP1A2 P05177 4/20 0.54
HTR1A P08908 4/20 0.54
CYP2D6 P10635 4/20 0.54
DRD2 P14416 4/20 0.54
CYP2C19 P33261 4/20 0.54
MAPK1 P28482 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
ABCB11 O95342 3/20 0.54
TP53 P04637 3/20 0.54
CYP3A4 P08684 3/20 0.54
ADRA2A P08913 3/20 0.54
ADRA2B P18089 3/20 0.54

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
SCHEMBL8426332 0.94 FNTA (0.61) FNTAFNTBITGB2ICAM1ITGAL
SCHEMBL8435143 0.91 FNTA (0.66) FNTAFNTBITGB2ICAM1ITGAL
SCHEMBL8430522 0.89 MAPT (0.63) FNTAFNTBMAPTLMNAKDM1A
SCHEMBL8426449 0.82 BCHE (0.64) FNTAFNTBMAPTLMNAKDM1A
SCHEMBL8430635 0.81 FNTA (0.55) FNTAFNTBITGB2ICAM1ITGAL
SCHEMBL6843471 0.81 LMNA (0.76) FNTAFNTBITGB2ICAM1ITGAL
SCHEMBL8520671 0.81 ITGB2 (0.62) FNTAFNTBITGB2ICAM1ITGAL
SCHEMBL14292499 0.80 ITGB2 (0.72) ITGB2ICAM1ITGALMAPTLMNA
SCHEMBL27083994 0.80 ITGB2 (0.69) FNTAFNTBITGB2ICAM1ITGAL
SCHEMBL15908318 0.80 LMNA (0.62) ITGB2ICAM1ITGALMAPTLMNA

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
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
EP-0777481-A1 USE OF N-SUBSTITUTED PHENOTHIAZINES BAYER AG (DE) 1997-06-11 EP claimed
WO-1996005837-A1 USE OF N-SUBSTITUTED PHENOTHIAZINES BAYER AKTIENGESELLSCHAFT (DE) 1996-02-29 WO claimed