SCHEMBL9873510

SCHEMBL9873510

N#CCNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
MAOB P27338 1/20 0.56
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
CYP2C19 P33261 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CTSB P07858 1/20 0.51
HTT P42858 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
NAMPT P43490 1/20 0.49

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
SCHEMBL10451394 0.83 LMNA (0.58) MAPTALDH1A1LMNAL3MBTL1MEN1
SCHEMBL31474545 0.83 EPHX2 (0.50) MAPTALDH1A1MEN1KMT2ACTSB
SCHEMBL8372261 0.83 CYP1A2 (0.58) CYP1A2TSHRNFKB1MAOBMAPT
SCHEMBL14213496 0.82 RAB9A (0.56) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL9827345 0.81 CTSL (0.61) ALDH1A1LMNAKMT2ARAB9ACTSB
SCHEMBL17011384 0.81 KDM4E (0.58) TSHRMAPTKDM4EALDH1A1LMNA
SCHEMBL10764773 0.81 CTSL (0.59) ALDH1A1RAB9ACTSBNAMPTNPC1
SCHEMBL26261156 0.81 MEN1 (0.62) MAOBMAPTALDH1A1MEN1KMT2A
SCHEMBL18704329 0.81 CA12 (0.63) CYP1A2TSHRNFKB1MAOBMAPT
SCHEMBL10645430 0.81 RAB9A (0.54) CYP1A2MEN1KMT2ACYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043467-A Halogenating, quaternizing substituted N-cyanomethylamide; desalting; herbicides, fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-08-27 US disclosed
EP-0135304-B1 PREPARATION OF SUBSTITUTED BENZAMIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-14 EP disclosed
US-4786747-A BROMINATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-11-22 US disclosed
EP-0260801-A2 Process for the production of substituted amides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-23 EP disclosed
EP-0258631-A2 Alkoxyimoalkylamides BAYER AG (DE) 1988-03-09 EP disclosed
EP-0149324-B1 BIOLOGICALLY ACTIVE AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-02 EP disclosed
US-4663481-A BROMINATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-05 US disclosed
EP-0144177-B1 PREPARATION OF BROMOACETAMIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-04 EP disclosed
US-4575557-A ACETONITRILE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-03-11 US disclosed
EP-0149324-A2 Biologically active amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-07-24 EP disclosed
EP-0144177-A1 Preparation of bromoacetamides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-06-12 EP disclosed
EP-0135304-A2 Preparation of substituted benzamides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-03-27 EP disclosed