SCHEMBL28847871

SCHEMBL28847871

Nc1ncnc(Cl)c1CC=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL782788 0.86 ALDH1A1 (0.36) HTTALDH1A1LMNASMN1; SMN2
SCHEMBL6033729 0.74 NOS2 (0.44) HTTALDH1A1LMNASMN1; SMN2
SCHEMBL25208543 0.73
SCHEMBL12832925 0.73 PDPK1 (0.35) HTTALDH1A1
SCHEMBL16155044 0.72 TAAR1 (0.39) HTTALDH1A1LMNASMN1; SMN2
SCHEMBL16155048 0.71 ADORA2A (0.35) HTTALDH1A1LMNASMN1; SMN2
SCHEMBL15271545 0.70 ADORA2A (0.42) ALDH1A1LMNASMN1; SMN2
SCHEMBL678617 0.69 EGFR (0.36) HTTALDH1A1LMNA
SCHEMBL12776668 0.69 ALDH1A1 (0.39) HTTALDH1A1LMNASMN1; SMN2
SCHEMBL3818212 0.69 KDM4E (0.36) LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989049-B Vif inhibitor and application thereof in preparation of anti-HIV (human immunodeficiency Virus) medicament 四川大学华西医院 2023-06-27 CN disclosed
CN-114989049-A Vif inhibitor and application thereof in preparation of anti-HIV (human immunodeficiency virus) medicines 四川大学华西医院 2022-09-02 CN disclosed
CN-107011347-B A kind of synthetic method of chloro- 7H- pyrrolo- [2,3-d] pyrimidine of 4- 华东师范大学 2019-01-18 CN disclosed
CN-107011347-A A kind of synthetic method of 4 chlorine 7H pyrrolo-es [2,3 d] pyrimidines 华东师范大学 2017-08-04 CN disclosed