SCHEMBL29265373

SCHEMBL29265373

Cc1ccc(Br)c2ccc(C(C)(C)C)nc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
CKS1B P61024 1/20 0.34
SKP2 Q13309 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
COMT P21964 1/20 0.31
OPRK1 P41145 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19599427 0.85 KMT2A (0.41) ELANEALDH1A1KDM4EOPRK1KMT2A
SCHEMBL17506427 0.77 KMT2A (0.50) ALDH1A1KDM4EOPRK1KMT2A
SCHEMBL24917151 0.74 RAB9A (0.34) ALDH1A1KDM4EKMT2A
SCHEMBL8008974 0.72 TDP1 (0.36) KDM4E
SCHEMBL21956901 0.70 PDE4B (0.38) OPRK1KMT2A
SCHEMBL31525570 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2A
SCHEMBL14884090 0.70 CCR1 (0.33) ALDH1A1KDM4E
SCHEMBL12570324 0.69 NOS3 (0.48) ALDH1A1KDM4E
SCHEMBL19542557 0.68 AR (0.41) ELANEALDH1A1KDM4EKMT2A
SCHEMBL15745468 0.67 GPR3 (0.39) ELANEALDH1A1

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-115135655-B 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2024-07-02 CN disclosed