SCHEMBL11545910

SCHEMBL11545910

Clc1ccc2nnn(-c3ccccc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
KMO O15229 1/20 0.47
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.46
FGFR1 P11362 1/20 0.45
MAPT P10636 2/20 0.44
ATM Q13315 1/20 0.44
SLC9A1 P19634 1/20 0.43
LMNA P02545 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL19848719 0.79 KDM4E (0.53) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL19848735 0.79 NPC1 (0.53) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8605903 0.79 NPC1 (0.76) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28668108 0.79 NPC1 (0.53) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30543440 0.79 NPC1 (0.53) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3977744 0.79 TDP1 (0.56) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28099573 0.78 IDO1 (0.55) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL165333 0.77 SMN1; SMN2 (0.71) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL19848484 0.76 KDM4E (0.49) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL19848332 0.76 ALDH1A1 (0.56) NPC1KDM4EL3MBTL1ALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
EP-0004762-A2 Diester and polymeric compositions containing it The B.F. GOODRICH Company (US) 1979-10-17 EP disclosed