SCHEMBL9306652

SCHEMBL9306652

CCCCCCCCCCCCCCOc1ccccc1CBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL31261714 1.00 MAPT (0.51) MAPTCYP3A4MEN1NR1I2LMNA
SCHEMBL31261640 1.00 MAPT (0.51) MAPTCYP3A4MEN1NR1I2LMNA
SCHEMBL31261593 1.00 MAPT (0.51) MAPTCYP3A4MEN1NR1I2LMNA
SCHEMBL31261638 1.00 MAPT (0.51) MAPTCYP3A4MEN1NR1I2LMNA
SCHEMBL28847170 1.00 MAPT (0.51) MAPTCYP3A4MEN1NR1I2LMNA
SCHEMBL31261680 1.00 MAPT (0.51) MAPTCYP3A4MEN1NR1I2LMNA
SCHEMBL31261687 1.00 MAPT (0.51) MAPTCYP3A4MEN1NR1I2LMNA
SCHEMBL31351899 0.98 CYP1A2 (0.50) MAPTCYP3A4MEN1NR1I2LMNA
SCHEMBL561213 0.93 CYP1A2 (0.56) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL31351901 0.93 CYP1A2 (0.56) MAPTLMNACYP1A2CYP2C9CYP2C19

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-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
US-5208247-A Antianaphylactic agents or septic shock AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
EP-0530444-A1 Aryl, amide, imide, and carbamate pyridine antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed