SCHEMBL3589450

SCHEMBL3589450

CC(C)(C)c1ccc(CN(CCc2ccccc2Cl)C(=O)c2cc(Cl)ccc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
C5AR1 P21730 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
MBTPS1 Q14703 1/20 0.37
RORB Q92753 1/20 0.37
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL3574025 0.89 C5AR1 (0.46) RECQLC5AR1KDM4ETP53MAPT
SCHEMBL3584423 0.87 LPAR1 (0.43) RECQLC5AR1KDM4ETP53MAPT
SCHEMBL3569048 0.86 SERPINE1 (0.42) C5AR1KDM4EMAPTFLT1FLT4
SCHEMBL3581208 0.83 LPAR1 (0.45) C5AR1KDM4ETP53LPAR1LPAR2
SCHEMBL3576810 0.83 LMNA (0.42) C5AR1KDM4ELPAR1LPAR5LMNA
SCHEMBL3587845 0.80 LPAR1 (0.42) C5AR1LPAR1LPAR2LPAR5
SCHEMBL12521286 0.74 LMNA (0.51) C5AR1LPAR1LPAR5LMNASMN1; SMN2
SCHEMBL3584396 0.74 C5AR1 (0.44) C5AR1KDM4EFLT1FLT4KDR
SCHEMBL3573515 0.74 C5AR1 (0.46) RECQLC5AR1KDM4ETP53MAPT
SCHEMBL3579634 0.73 SERPINE1 (0.40) C5AR1KDM4ETP53MAPTFLT1

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
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed