SCHEMBL22022199

SCHEMBL22022199

CN(C)C(=O)c1cc2cc(Cl)ccc2n1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.59
▸ ACLY P53396 1/20 0.54
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ AHR P35869 1/20 0.51
▸ PHGDH O43175 6/20 0.49
▸ KCNH2 Q12809 2/20 0.47
▸ QRFPR Q96P65 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ KCNE1 P15382 1/20 0.47
▸ SCN5A Q14524 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MCL1 Q07820 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
SCHEMBL43328 0.82 KDM4E (0.66) RXFP1MEN1KMT2AAHRPHGDH
SCHEMBL17324809 0.82 RXFP1 (0.64) RXFP1MEN1KMT2AAHRPHGDH
SCHEMBL31435640 0.81 MCL1 (0.69) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL13415456 0.81 RXFP1 (0.62) RXFP1MEN1KMT2AAHRPHGDH
SCHEMBL22003789 0.81 ACLY (0.51) RXFP1ACLYGFER
SCHEMBL29580332 0.79 MCL1 (0.67) MEN1KMT2AALDH1A1MCL1
SCHEMBL8568554 0.79 MCL1 (0.67) MEN1KMT2AALDH1A1MCL1
SCHEMBL24198804 0.78 RXFP1 (0.59) RXFP1MEN1KMT2AAHRPHGDH
SCHEMBL4919697 0.78 L3MBTL1 (0.70) RXFP1MEN1KMT2AAHRPHGDH
SCHEMBL17321377 0.78 RXFP1 (0.59) RXFP1MEN1KMT2AAHRPHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102616-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. (US) 2020-05-22 — — WO disclosed
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