SCHEMBL28619853

SCHEMBL28619853

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NR3C1 P04150 5/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ GAA P10253 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
SCHEMBL28630088 0.84 KDM4E (0.43) KDM4EALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL19492615 0.80 KDM4E (0.40) KDM4EALDH1A1TDP1NR3C1SMN1; SMN2
SCHEMBL19492870 0.80 TDP1 (0.41) KDM4EALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL28634209 0.80 HPGD (0.43) KDM4EALDH1A1TDP1NR3C1SMN1; SMN2
SCHEMBL19464294 0.80 KDM4E (0.40) KDM4EALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL19464269 0.79 ALDH1A1 (0.40) KDM4EALDH1A1TDP1NR3C1SMN1; SMN2
SCHEMBL19463979 0.78 KEAP1 (0.40) KDM4EALDH1A1TDP1NR3C1SMN1; SMN2
SCHEMBL19463237 0.75 ALDH1A1 (0.45) KDM4EALDH1A1TDP1NPC1RAB9A
SCHEMBL19492644 0.71 ALDH1A1 (0.40) KDM4EALDH1A1TDP1NR3C1SMN1; SMN2
SCHEMBL28614649 0.70 CYP1A2 (0.59) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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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