SCHEMBL8764227

SCHEMBL8764227

N#CCCc1ccccc1CCC#N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
EGFR P00533 1/20 0.40
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 3/20 0.35
GLA P06280 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTR2A P28223 1/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8763171 0.93 MEN1 (0.46) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL1150682 0.89 MEN1 (0.43) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL5704101 0.89 MEN1 (0.43) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL9184322 0.89 MEN1 (0.43) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL8851766 0.89 MEN1 (0.43) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL27939540 0.89 MEN1 (0.43) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL31324218 0.89 MEN1 (0.43) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL3819366 0.85 SLC6A4 (0.43) MEN1KMT2AALDH1A1KDM4EHTR2A
SCHEMBL31324220 0.85 TSHR (0.44) MEN1KMT2AALDH1A1ATML3MBTL1
SCHEMBL1459814 0.84 TAAR1 (0.54) MEN1KMT2ACYP1A2CYP1A1CYP1B1

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-109715610-A Method for producing polyamines from dinitriles and/or aminonitriles 巴斯夫欧洲公司 2019-05-03 CN disclosed
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed