SCHEMBL8771796

SCHEMBL8771796

N#Cc1ccc(NCC(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA12 O43570 3/20 0.51
CA7 P43166 1/20 0.51
ALDH1A1 P00352 3/20 0.49
PKM P14618 2/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
GRK2 P25098 1/20 0.48
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
NLRP3 Q96P20 1/20 0.46
CA9 Q16790 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 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
SCHEMBL361315 0.83 ALDH1A1 (0.50) CA1CA2CA12CA7ALDH1A1
SCHEMBL30366810 0.82 CA1 (0.56) CA1CA2CA12CA7ALDH1A1
SCHEMBL28279381 0.80 ALDH1A1 (0.55) CA1CA2CA12CA7ALDH1A1
SCHEMBL15691472 0.79 ALDH1A1 (0.50) CA1CA2CA12CA7ALDH1A1
SCHEMBL29245704 0.79 MAPT (0.51) CA1CA2CA12CA7ALDH1A1
SCHEMBL25057145 0.77 SAE1 (0.45) CA1CA2CA12CA7ALDH1A1
SCHEMBL11647073 0.76 CA1 (0.41) CA1CA2CA12ALDH1A1MAPT
SCHEMBL3659518 0.76 PEPD (0.54) CA1CA2CA12CA7ALDH1A1
SCHEMBL3995569 0.76 ESR1 (0.55) CA1CA2CA12ALDH1A1PKM
SCHEMBL28369878 0.76 ALDH1A1 (0.59) CA1CA2CA12CA7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105481831-A New method for preparing dabigatran etexilate intermediate KAIFENG MINGREN PHARMACEUTICAL CO LTD 2016-04-13 CN claimed
CN-117843617-A Intermediate compound of dabigatran etexilate and synthesis method thereof 江苏阿尔法药业股份有限公司 2024-04-09 CN disclosed
CN-116003384-A Synthesis method of dabigatran etexilate important intermediate 宿迁盛基医药科技有限公司 2023-04-25 CN disclosed
CN-105481831-A New method for preparing dabigatran etexilate intermediate KAIFENG MINGREN PHARMACEUTICAL CO LTD 2016-04-13 CN disclosed
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed