SCHEMBL15543006

SCHEMBL15543006

Fc1ccccc1-n1ncc(-c2nnn(Cc3ccccc3)n2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ NPC1 O15118 5/20 0.42
▸ ATM Q13315 3/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL15554204 0.89 ALDH1A1 (0.42) RAB9AL3MBTL1NPC1ATMESR1
SCHEMBL15554828 0.87 RAB9A (0.50) RAB9AL3MBTL1NPC1ATMESR1
SCHEMBL15560269 0.86 KCNN4 (0.40) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL15554672 0.85 RAB9A (0.48) RAB9AL3MBTL1NPC1ATMESR1
SCHEMBL15543200 0.84 RAB9A (0.55) RAB9AL3MBTL1NPC1ATMESR1
SCHEMBL15555334 0.82 LMNA (0.41) RAB9AL3MBTL1NPC1ATMESR1
SCHEMBL15555237 0.82 LMNA (0.44) RAB9AL3MBTL1NPC1ATMESR1
SCHEMBL15555127 0.80 L3MBTL1 (0.47) RAB9AL3MBTL1NPC1ESR1MAPT
SCHEMBL15560287 0.80 LMNA (0.46) RAB9AL3MBTL1NPC1ATMESR1
SCHEMBL15560043 0.79 RAB9A (0.57) RAB9AL3MBTL1NPC1ATMESR1

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
WO-2014002109-A1 SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF RALLIS INDIA LIMITED (IN) 2014-01-03 — — WO disclosed
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