SCHEMBL6325337

SCHEMBL6325337

C[C@@](C(=O)O)(c1ccccc1)N(Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ ABCB1 P08183 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ RORB Q92753 1/20 0.37
▸ CXCR1 P25024 1/20 0.37
▸ CXCR2 P25025 1/20 0.37
▸ S1PR4 O95977 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SLC16A3 O15427 1/20 0.35
▸ SLC16A1 P53985 1/20 0.35
▸ MCTS1 Q9ULC4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6319596 0.77 PRMT1 (0.44) TP53ALDH1A1LMNAHTT
SCHEMBL6322928 0.73 TP53 (0.44) SOS1TP53ALDH1A1SMN1; SMN2NPC1
SCHEMBL6322936 0.73 TP53 (0.44) SOS1TP53ALDH1A1SMN1; SMN2NPC1
SCHEMBL6325327 0.73 TP53 (0.39) SOS1TP53ALDH1A1SMN1; SMN2NPC1
SCHEMBL6325332 0.72 ALDH1A1 (0.45) SOS1TP53ALDH1A1SMN1; SMN2NPC1
SCHEMBL6400955 0.68 SOS1 (0.60) SOS1TP53ALDH1A1SMN1; SMN2NPC1
SCHEMBL6325308 0.67 TP53 (0.46) SOS1TP53
SCHEMBL6325311 0.67 TP53 (0.46) SOS1TP53
SCHEMBL27649028 0.66 SOS1 (0.57) SOS1ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL18014746 0.65 SOS1 (0.63) SOS1TP53ALDH1A1SMN1; SMN2NPC1

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-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 — — US claimed
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