SCHEMBL8599822

SCHEMBL8599822

CC(C)(C)OC(=O)Cn1c(C#N)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ PTGES O14684 5/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ LCK P06239 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 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
SCHEMBL8597440 0.87 KDM4E (0.40) ALDH1A1KDM4EPTGESMEN1KMT2A
SCHEMBL8571701 0.85 TAS1R3 (0.42) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL8599169 0.84 PIK3CD (0.39) ALDH1A1KDM4EPTGESMEN1KMT2A
SCHEMBL8595161 0.84 PTGES (0.42) ALDH1A1KDM4EPTGESTP53MAPT
SCHEMBL8599596 0.82 LMNA (0.40) ALDH1A1KDM4EPTGESMEN1KMT2A
SCHEMBL8668515 0.80 S1PR2 (0.38) TAS1R3TAS1R1TAS1R2PTGESMEN1
SCHEMBL8602578 0.78 RAB9A (0.43) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL8599561 0.78 KDM4E (0.44) ALDH1A1KDM4EKMT2AMAPT
SCHEMBL8602012 0.75 DCTPP1 (0.42) ALDH1A1KDM4EKMT2AHTTMAPT
SCHEMBL8600749 0.74 MEN1 (0.40) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 — — EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 — — WO disclosed
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