SCHEMBL3652133

SCHEMBL3652133

O=C(O)c1cc(-c2nnn[nH]2)cc(-c2cccc(Cl)c2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.40
ALPL P05186 1/20 0.39
CNR2 P34972 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
EIF4E P06730 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
FABP4 P15090 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
KMO O15229 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 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
SCHEMBL3655999 0.90 ALPL (0.46) ALPLNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL3653446 0.81 MARS1 (0.49) ALPLNPC1RAB9ASMN1; SMN2
SCHEMBL3650607 0.81 ALDH1A1 (0.39) ALPLCNR2HDAC6EIF4EALDH1A1
SCHEMBL3656184 0.81 ADORA2A (0.40) ALDH1A1BCL2L1TSHRSMN1; SMN2KMO
SCHEMBL3650933 0.81 DHODH (0.40) CTSAHDAC6EIF4EKMOTTR
SCHEMBL3655915 0.80 MAOA (0.43) HDAC6TTR
SCHEMBL3652857 0.80 NR1H4 (0.43) ALPLMCL1TSHRNPC1RAB9A
SCHEMBL3660881 0.80 AXL (0.38) ALPLEIF4EALDH1A1PKM
SCHEMBL3658374 0.80 EIF4E (0.38) ALPLEIF4EL3MBTL1TSHRNPC1
SCHEMBL733156 0.79 DHODH (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2KMO

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO claimed
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO disclosed