SCHEMBL7645164

SCHEMBL7645164

CCCOc1nc2ccc(Cl)cc2c(=O)n1CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ PARG Q86W56 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ PDE5A O76074 1/20 0.40

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
SCHEMBL7643515 0.87 USP2 (0.47) DPP4DHODHALDH1A1HDAC3HDAC4
SCHEMBL7638151 0.85 DPP4 (0.46) DPP4DHODHALDH1A1TSHRHDAC3
SCHEMBL8018051 0.82 CYP2D6 (0.42) DHODHALDH1A1LMNAL3MBTL1
SCHEMBL7642307 0.77 SMN1; SMN2 (0.54) DPP4ALDH1A1TSHRMEN1KMT2A
SCHEMBL7966894 0.77 SMN1; SMN2 (0.39) ALDH1A1TSHRMEN1KMT2APDE5A
SCHEMBL7635781 0.75 SMN1; SMN2 (0.47) DPP4ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL5712356 0.73 MAPK1 (0.45) ALDH1A1TSHRPARGMEN1KMT2A
SCHEMBL192788 0.72 TP53 (0.51) ALDH1A1SMN1; SMN2LMNA
SCHEMBL21925 0.72 USP2 (0.47) ALDH1A1TSHRPARGMEN1KMT2A
SCHEMBL7980392 0.72 SMN1; SMN2 (0.39) ALDH1A1TSHRMEN1KMT2APDE5A

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-6413973-B1 SYNERGISTIC WITH A CYANO-PYROLE AND A PHENYLAMIDE AGAINST PHYTOPATHOGENIC FUNGI ON CROP PLANTS; TREATING SEEDS, PLANTS OR SOIL; WHEAT, RYE, BARLEY, MAIZE, CUCURBITS, LAWNS, COTTON, SOYBEANS, COFFEE, SUGARCANE, FRUITS, CUCUMBERS, BEANS SYNGENTA CROP PROTECTION, INC. 2002-07-02 — — US claimed
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