SCHEMBL7439698

SCHEMBL7439698

Brc1cc(CC2CCCC2)cc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.43
GCK P35557 1/20 0.39
CCR3 P51677 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
GRM4 Q14833 1/20 0.36
GRM2 Q14416 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CHKA P35790 1/20 0.34
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 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
SCHEMBL7437678 0.94 ITK (0.38) ITKCCR3NPC1RAB9ASMN1; SMN2
SCHEMBL7440653 0.78 TDP1 (0.32) GCKCCR3NPC1SMN1; SMN2LMNA
SCHEMBL4034477 0.77 KDM4E (0.42) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL21438696 0.75 KDM4E (0.41) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL1060220 0.75 CCR1 (0.42) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL7440660 0.75 SMN1; SMN2 (0.33) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL9129273 0.75 PDE4A (0.52) LMNAKDM4EMEN1KMT2AHTT
SCHEMBL7441262 0.75 CCR3 (0.44) ITKCCR3CCR1CCR8CCNB2
SCHEMBL7443607 0.75 PDE4A (0.53) ITKCCR3
SCHEMBL7441197 0.74 KDM4E (0.51) NPC1RAB9ASMN1; SMN2LMNAMAPT

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-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
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed