SCHEMBL11369331

SCHEMBL11369331

C=C(CCCC)C(=O)NC1CC(C)(C)N(Cc2ccccc2)C(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
GAA P10253 2/20 0.40
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSK P43235 1/20 0.35
DRD4 P21917 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL28507735 0.79 GAA (0.44) GAAKDM4EKMT2ADCUN1D1EPHX1
SCHEMBL9002880 0.79 GAA (0.47) GAAMTNR1AMTNR1BKDM4EKMT2A
SCHEMBL6827159 0.78 FLT3 (0.40) KMT2AEPHX1EPHX2
SCHEMBL11361096 0.78 ABL1 (0.39) ABL1RIN1KDM4EKMT2AEPHX2
SCHEMBL10719771 0.77 SMN1; SMN2 (0.44) GAAALDH1A1
SCHEMBL11158681 0.76 TEAD1 (0.46) GAAKDM4EKMT2ADRD4SIGMAR1
SCHEMBL11477683 0.76 EZH2 (0.53) GAAKDM4EKMT2ADRD4SIGMAR1
SCHEMBL11163648 0.74 MEN1 (0.43) KMT2ASIGMAR1
SCHEMBL9456562 0.74 KMT2A (0.60) KMT2AUBE2MDCUN1D1EPHX1EPHX2
SCHEMBL9300647 0.73 SIGMAR1 (0.43) GAAMTNR1AMTNR1BKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4294949-A ACRYLATES OR ACRYLAMIDES WHICH CARRY N-HETEROCYCLIC RINGS CIBA-GEIGY CORPORATION (US) 1981-10-13 US disclosed
US-4276401-A N-Heterocyclic substituted acryloyl polymeric compounds CIBA-GEIGY CORPORATION (US) 1981-06-30 US disclosed
US-4256627-A COMPRISING COMPLEXES OF POLYMERS HAVING UNITS CONTAINING ALKYLPIPERIDINE GROUPS AND NICKEL OR COBALT CARBOXYLATES OR ENOLATES CIBA-GEIGY CORPORATION (US) 1981-03-17 US disclosed
US-4210612-A LIGHT STABILIZERS FOR PLASTICS CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed
EP-0010518-A1 Acrylic copolymers bearing N-heterocyclic side rings, their use, and process for their preparation CIBA-GEIGY AG (CH) 1980-04-30 EP disclosed