SCHEMBL7474528

SCHEMBL7474528

O=C(CBr)Nc1cc(F)c(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.38
AKT1 P31749 1/20 0.38
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
GRK2 P25098 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA4 P22748 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL21765662 0.96 RAB9A (0.41) CA1CA2CA9RAB9ANPC1
SCHEMBL8691883 0.82 STING1 (0.42) POLBPKMSMN1; SMN2TDP1MEN1
SCHEMBL30938481 0.79 RAB9A (0.59) RAB9ANPC1POLBPKMSMN1; SMN2
SCHEMBL6036198 0.79 RAB9A (0.59) RAB9ANPC1POLBPKMSMN1; SMN2
SCHEMBL2190433 0.79 POLB (0.59) POLBPKMGRK2SMN1; SMN2CTDSP1
SCHEMBL28135499 0.77 MAPK1 (0.50) RAB9APOLBPKMSMN1; SMN2KMT2A
SCHEMBL24499421 0.77 NPC1 (0.59) CA1CA2CA12CA9RAB9A
SCHEMBL22279550 0.76 CA1 (0.59) CA1CA2CA12CA9RAB9A
SCHEMBL21765907 0.75 TSHR (0.51) RAB9APOLBPKMSMN1; SMN2MEN1
SCHEMBL1431346 0.74 NPC1 (0.62) RAB9ANPC1POLBPKMSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed