SCHEMBL7710271

SCHEMBL7710271

NC(=O)c1cc(-c2c[nH]c3ccccc23)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
KDM4E B2RXH2 3/20 0.66
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
ATM Q13315 1/20 0.54
ELANE P08246 2/20 0.52
PDE10A Q9Y233 2/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50

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
SCHEMBL7715419 0.89 KDM4E (0.81) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL7710279 0.84 KDM4E (0.62) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL7716152 0.80 MAPT (0.55) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL7718225 0.78 ELANE (0.60) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL379807 0.77 LMNA (0.76) KDM4EMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29586433 0.77 LMNA (0.76) KDM4EMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7715931 0.77 ELANE (0.55) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL17179315 0.76 TUBB4A (0.63) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL30604083 0.76 TACR3 (0.57) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL8176662 0.75 KDM4E (0.73) MAPTKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376670-B1 BACTERICIDE FOR GRAMPOSITIVE BACTERIA SEPRACOR INC. 2002-04-23 US disclosed
US-6207679-B1 FOR INHIBITING GROWTH OF BACTERIAL MICROORGANISMS SEPRACOR, INC. 2001-03-27 US disclosed
US-6172084-B1 BACTERICIDES AGAINST ANTIBIOTIC RESISTANT STRAINS OF STAPHYLOCOCCUS, STREPTOCOCCUS AND ENTEROCOCCUS SEPRACOR, INC. 2001-01-09 US disclosed
US-6103905-A EFFECTIVE AGAINST DRUG RESISTANT GRAMPOSITIVE BACTERIAL INFECTIONS; ANTIBIOTICS SEPRACOR, INC. (US) 2000-08-15 US disclosed
WO-2000034265-A2 QUINOLINE-INDOLE ANTIMICROBIAL AGENTS SEPRACOR, INC. (US) 2000-06-15 WO disclosed
EP-0991623-A2 QUINOLINE-INDOLE ANTIMICROBIAL AGENTS, USES AND COMPOSITIONS RELATED THERETO SEPRACOR, INC. (US) 2000-04-12 EP disclosed
WO-1998057931-A2 QUINOLINE-INDOLE ANTIMICROBIAL AGENTS, USES AND COMPOSITIONS RELATED THERETO SEPRACOR INC. (US) 1998-12-23 WO disclosed
WO-1998057952-A1 ISOQUINOLINE-INDOLE COMPOUNDS AS ANTIMICROBIAL AGENTS SEPRACOR INC. (US) 1998-12-23 WO disclosed