SCHEMBL16602199

SCHEMBL16602199

CCCCNc1ccc(Cl)c2c1C(=O)c1c(NCCCC)ccc(NCCCC)c1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
CISD1 Q9NZ45 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NR4A2 P43354 1/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 3/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 2/20 0.40
APAF1 O14727 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 3/20 0.39
USP2 O75604 3/20 0.39
MAPK1 P28482 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 3/20 0.39

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
SCHEMBL16601869 0.90 CYP19A1 (0.40) CYP19A1CISD1SMN1; SMN2RAB9AKDM4E
SCHEMBL10732244 0.90 POLB (0.51) SMN1; SMN2RAB9AKDM4EPOLBMAPT
SCHEMBL16602198 0.89 CYP19A1 (0.56) CYP19A1SMN1; SMN2RAB9AKDM4EPOLB
SCHEMBL4706929 0.84 CYP19A1 (0.54) CYP19A1SMN1; SMN2RAB9AKDM4EPOLB
SCHEMBL16601545 0.83 CYP19A1 (0.44) CYP19A1SMN1; SMN2RAB9AKDM4EPOLB
SCHEMBL10989465 0.81 NSD2 (0.52) CISD1SMN1; SMN2RAB9ANR4A2POLB
SCHEMBL9619539 0.80 CYP19A1 (0.47) CYP19A1SMN1; SMN2RAB9AKDM4EPOLB
SCHEMBL17732422 0.80 CYP19A1 (0.73) CYP19A1CISD1SMN1; SMN2RAB9AKDM4E
SCHEMBL16601873 0.79 CYP19A1 (0.46) CYP19A1SMN1; SMN2RAB9AKDM4EPOLB
SCHEMBL29364149 0.78 MEN1 (0.59) CYP19A1SMN1; SMN2RAB9APOLBMAPT

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-9709500-B2 Optical method for detecting viable microorganisms in a cell sample CHARLES RIVER LABORATORIES, INC. (US) 2017-07-18 US disclosed
US-20150368689-A1 VIABILITY STAINING METHOD JPMORGAN CHASE BANK, N.A., AS ADMINISTRATIVE AGENT 2015-12-24 US disclosed
US-20150368690-A1 VIABILITY STAINING METHOD JPMORGAN CHASE BANK, N.A., AS ADMINISTRATIVE AGENT 2015-12-24 US disclosed
US-8993259-B2 Method of viability staining with membrane permeable fluorescent dye and membrane impermeable fluorescence quencher CHARLES RIVER LABORATORIES, INC. (US) 2015-03-31 US disclosed