SCHEMBL29216005

SCHEMBL29216005

O=C(O)c1cc(=O)n(Cl)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.48
ALOX15 P16050 2/20 0.48
NFKB1 P19838 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 3/20 0.41
ALKBH5 Q6P6C2 2/20 0.41
TSHR P16473 2/20 0.39
HPGD P15428 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GRIN1 Q05586 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP2C9 P11712 2/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
CYP1A2 P05177 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 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
SCHEMBL8208517 0.80 ALOX15 (0.48) BLMALOX15NFKB1SMN1; SMN2LMNA
SCHEMBL20791866 0.76 ALOX15 (0.48) BLMALOX15NFKB1SMN1; SMN2LMNA
SCHEMBL3793592 0.76 SMN1; SMN2 (0.48) BLMALOX15NFKB1SMN1; SMN2LMNA
SCHEMBL1050340 0.76 NFKB1 (0.48) BLMALOX15NFKB1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL11439571 0.74 SMN1; SMN2 (0.47) BLMALOX15NFKB1SMN1; SMN2LMNA
Water SCHEMBL27669910 0.74 NFKB1 (0.47) BLMALOX15NFKB1SMN1; SMN2LMNA
SCHEMBL7403411 0.73 ALOX15 (0.45) BLMALOX15NFKB1SMN1; SMN2LMNA
SCHEMBL8149936 0.73 NFKB1 (0.45) BLMALOX15NFKB1SMN1; SMN2LMNA
SCHEMBL3797821 0.73 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL9715396 0.72 NFKB1 (0.44) BLMALOX15NFKB1SMN1; SMN2LMNA

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-107118164-B Process for the preparation of 5-chloro-6- (chloromethyl) -2,4- (1H, 3H) -pyrimidinedione 卡硼瑞(北京)科技有限公司 2024-05-28 CN claimed