SCHEMBL8845798

SCHEMBL8845798

Cc1cccc(-c2ccc(Br)cc2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
PPARG P37231 2/20 0.42
NCOA2 Q15596 2/20 0.42
NCOA1 Q15788 2/20 0.42
TP53 P04637 2/20 0.42
APAF1 O14727 1/20 0.42
USP2 O75604 1/20 0.42
MC4R P32245 1/20 0.42

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
SCHEMBL23625616 0.84 AR (0.44) TSHRKMT2AMEN1CYP1A2CYP2C19
SCHEMBL3376658 0.83 ALDH1A1 (0.49) SMN1; SMN2TSHRNPC1RAB9ANPSR1
SCHEMBL31156292 0.77 IKBKB (0.47)
SCHEMBL20147802 0.75 ADORA1 (0.52) SMN1; SMN2TSHRNPC1RAB9AKMT2A
SCHEMBL7271852 0.75 KDM4E (0.50) SMN1; SMN2NPC1RAB9ANPSR1KMT2A
SCHEMBL1841291 0.74 TSHR (0.59) SMN1; SMN2TSHRNPC1RAB9ANPSR1
SCHEMBL21189094 0.74 ADRA2C (0.49) CYP1A2CYP2C19KDM4EADORA2AADORA1
SCHEMBL102473 0.73 CYP1A2 (0.59) TSHRKMT2AMEN1CYP1A2CYP2C19
SCHEMBL23200373 0.73 CYP1A2 (0.47) TSHRRAB9ANPSR1CYP1A2CYP2C19
SCHEMBL584047 0.72 CYP1A2 (0.50) SMN1; SMN2TSHRNPSR1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333542-A Preparation method of high-temperature brominated sartanbiphenyl based on bromine 嘉兴学院 2020-06-26 CN claimed
CN-111320555-A Preparation method of normal-temperature brominated sartanbiphenyl based on dibromohydantoin 嘉兴学院 2020-06-23 CN claimed
CN-111302973-A Preparation method of normal-temperature brominated sartanbiphenyl based on bromine 嘉兴学院 2020-06-19 CN claimed
CN-111333542-A Preparation method of high-temperature brominated sartanbiphenyl based on bromine 嘉兴学院 2020-06-26 CN disclosed
CN-111333540-A Preparation method of high-temperature bromosartanbiphenyl based on sodium bromide-sodium bromate system 嘉兴学院 2020-06-26 CN disclosed
CN-104072386-A Improvement method of valsartan intermediate ZHEJIANG HUAHAI PHARM CO LTD 2014-10-01 CN disclosed
US-5610301-A Process for the regioselective n-alkylation of quinazolinones AMERICAN CYANAMID COMPANY (US) 1997-03-11 US disclosed