SCHEMBL20708140

SCHEMBL20708140

CCOC(=O)C(I)(I)c1ncc(C(F)(F)F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ AGBL2 Q5U5Z8 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL17315810 0.86 L3MBTL1 (0.46) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL14932582 0.75 L3MBTL1 (0.57) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17315789 0.72 KDM4E (0.38) L3MBTL1ALDH1A1KMT2AAGBL2POLB
SCHEMBL17315815 0.72 KDM4E (0.38) L3MBTL1ALDH1A1HPGDPOLBGAA
SCHEMBL19371277 0.71 ALDH1A1 (0.52) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17315802 0.70 S1PR1 (0.41) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17622561 0.70 KDM4E (0.39) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL28704182 0.70 ALDH1A1 (0.54) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17315809 0.69 AGBL2 (0.44) ALDH1A1HPGDMEN1KMT2AAGBL2
SCHEMBL30747027 0.69 L3MBTL1 (0.54) L3MBTL1ALDH1A1HPGDMEN1KMT2A

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
EP-3194403-B1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS CAYMAN LTD (KY) 2019-02-06 — — EP disclosed
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