SCHEMBL8342786

SCHEMBL8342786

N#CC1C=Cc2ccccc2N1C(=O)c1ccc(CF)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.68
▸ ALDH1A1 P00352 4/20 0.68
▸ KMT2A Q03164 4/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ NPSR1 Q6W5P4 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ P2RX4 Q99571 1/20 0.37
▸ ATM Q13315 2/20 0.36
▸ HPGD P15428 1/20 0.35
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PTGDR2 Q9Y5Y4 4/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ HTT P42858 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
SCHEMBL8342323 0.86 LMNA (0.72) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8342494 0.86 LMNA (0.75) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9369302 0.85 LMNA (0.78) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9365729 0.84 LMNA (0.72) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9365789 0.84 KMT2A (0.72) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9365388 0.84 LMNA (0.72) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29624123 0.84 KMT2A (0.72) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8343305 0.83 LMNA (0.68) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9366677 0.81 ALDH1A1 (1.00) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9365701 0.81 LMNA (0.79) LMNAALDH1A1KMT2AMEN1SMN1; 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-5939435-A TREATMENT OF ATHEROSCLEROSIS AND CORONARY HEART DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-17 — — US disclosed
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