SCHEMBL7440653

SCHEMBL7440653

O=[N+]1CCCC1Cc1cc(Br)c2ncccc2c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
CCR3 P51677 1/20 0.31
MGLL Q99685 1/20 0.31
PARP1 P09874 1/20 0.31
LMNA P02545 4/20 0.31
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
HTT P42858 2/20 0.30
GCK P35557 1/20 0.30
HPGD P15428 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30
PSMD14 O00487 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
AGTR1 P30556 1/20 0.30

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
SCHEMBL7439698 0.78 ITK (0.43) TDP1CCR3LMNAALDH1A1KDM4E
SCHEMBL7437678 0.78 ITK (0.38) TDP1CCR3LMNAALDH1A1KDM4E
SCHEMBL27497063 0.71 GLO1 (0.38) TDP1LMNAALDH1A1KDM4EMAPT
SCHEMBL4034477 0.70 KDM4E (0.42) TDP1LMNAALDH1A1KDM4EMAPT
SCHEMBL1060220 0.69 CCR1 (0.42) TDP1PARP1LMNAALDH1A1KDM4E
SCHEMBL21438696 0.69 KDM4E (0.41) TDP1LMNAALDH1A1KDM4EMAPT
SCHEMBL7441197 0.68 KDM4E (0.51) TDP1LMNAALDH1A1KDM4EMAPT
SCHEMBL27513673 0.68 KDM4E (0.39) TDP1LMNAALDH1A1KDM4EMAPT
SCHEMBL24368588 0.67 THRB (0.45) LMNAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL29518290 0.67 THRB (0.45) LMNAALDH1A1KDM4EMAPTSMN1; 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-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed