SCHEMBL11818281

SCHEMBL11818281

CCn1c(C)nc2cc(C(F)(F)F)c(F)c(N)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ CDK9 P50750 4/20 0.34
▸ DYRK1A Q13627 4/20 0.34
▸ DYRK2 Q92630 3/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ DYRK4 Q9NR20 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL11805739 0.89 KDM4E (0.42) KDM4ERAD52LMNAHTTSMN1; SMN2
SCHEMBL11517572 0.85 KDM4E (0.40) KDM4ERAD52LMNAHTTSMN1; SMN2
SCHEMBL11803727 0.85 KDM4E (0.40) KDM4ERAD52LMNAHTTSMN1; SMN2
SCHEMBL11813003 0.83 KDM4E (0.38) KDM4ERAD52LMNAHTTSMN1; SMN2
SCHEMBL11806507 0.83 TDP1 (0.40) KDM4ERAD52LMNAHTTSMN1; SMN2
SCHEMBL11861925 0.78 LMNA (0.39) LMNAHTTSMN1; SMN2KMT2ATDP1
SCHEMBL11805651 0.76 CDK9 (0.40) KDM4ERAD52KMT2ACDK9DYRK1A
SCHEMBL11804036 0.75 TLR8 (0.38) SMN1; SMN2KMT2ACDK9DYRK1ADYRK2
SCHEMBL11810730 0.74 KDM4E (0.52) KDM4ERAD52LMNAHTTSMN1; SMN2
SCHEMBL11805670 0.74 KDM4E (0.42) KDM4ERAD52LMNAHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3954438-A 5-Trifluoromethyl-7-aminobenzimidazoles herbicides UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 — — US disclosed
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