SCHEMBL21708875

SCHEMBL21708875

CN(C=Cc1nnnn1-c1ccccc1)CCN(C)C=Cc1nnnn1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 4/20 0.59
KDM4E B2RXH2 3/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
GFER P55789 1/20 0.59
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 3/20 0.40
CCR6 P51684 1/20 0.40
CACNA1B Q00975 1/20 0.40

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
SCHEMBL21708874 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1
SCHEMBL18496474 0.91 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1
SCHEMBL28420855 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1
SCHEMBL15179261 0.73 KDM4E (0.52) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1
SCHEMBL8543350 0.72 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1
SCHEMBL10238831 0.71 KDM4E (0.44) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1
SCHEMBL27670951 0.71 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1
SCHEMBL11500081 0.71 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1
SCHEMBL2095301 0.70 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1
SCHEMBL21708886 0.70 KDM4E (0.52) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1

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-11993729-B2 Chemical mechanical polishing composition BASF SE (DE) 2024-05-28 US disclosed
US-20210102093-A1 USE OF A CHEMICAL MECHANICAL POLISHING (CMP) COMPOSITION FOR POLISHING OF COBALT COMPRISING SUBSTRATES BASF SE (DE) 2021-04-08 US disclosed
US-10899945-B2 Use of a chemical mechanical polishing (CMP) composition for polishing of cobalt comprising substrates BASF SE (DE) 2021-01-26 US disclosed
US-20200299547-A1 CHEMICAL MECHANICAL POLISHING COMPOSITION BASF SE (DE) 2020-09-24 US disclosed
EP-3334794-B1 USE OF A CHEMICAL MECHANICAL POLISHING (CMP) COMPOSITION FOR POLISHING OF COBALT COMPRISING SUBSTRATES BASF SE (DE) 2020-02-19 EP disclosed