SCHEMBL28634209

SCHEMBL28634209

Cc1nn2c(N(C)C)c(C(=O)O)cnc2c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CRHR1 P34998 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 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
SCHEMBL19463513 0.83 KDM4E (0.50) HPGDKDM4EALDH1A1POLBLMNA
SCHEMBL28630088 0.81 KDM4E (0.43) HPGDKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL28619853 0.80 KDM4E (0.42) HPGDKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL19463979 0.78 KEAP1 (0.40) KDM4EALDH1A1TDP1L3MBTL1POLB
SCHEMBL19492615 0.78 KDM4E (0.40) HPGDKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL19464294 0.78 KDM4E (0.40) HPGDKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL19492870 0.78 TDP1 (0.41) HPGDKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL19464269 0.77 ALDH1A1 (0.40) KDM4EALDH1A1TDP1L3MBTL1POLB
SCHEMBL20768125 0.73 MAPT (0.41) HPGDKDM4EALDH1A1POLBLMNA
SCHEMBL19463237 0.73 ALDH1A1 (0.45) HPGDKDM4EALDH1A1TDP1POLB

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
CN-109071545-B Novel pyrazolopyrimidine derivatives 拜耳动物保健有限责任公司 2021-08-03 — — CN disclosed
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