SCHEMBL10354595

SCHEMBL10354595

NCCNCCc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.61
HRH1 P35367 2/20 0.59
SIGMAR1 Q99720 6/20 0.50
ROCK1 Q13464 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
CA12 O43570 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10911135 0.92 HRH1 (0.60) LOXL2HRH1SIGMAR1ROCK1MEN1
SCHEMBL7360165 0.89 LOXL2 (0.54) LOXL2HRH1SIGMAR1ROCK1TDP1
SCHEMBL20689752 0.85 SIGMAR1 (0.59) LOXL2HRH1SIGMAR1ALDH1A1
SCHEMBL3976803 0.81 ALDH1A1 (0.54) LOXL2HRH1TDP1ALDH1A1MEN1
SCHEMBL2566281 0.80 SIGMAR1 (0.47) LOXL2HRH1SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13102158 0.79 ALDH1A1 (0.50) LOXL2SIGMAR1TDP1ALDH1A1MEN1
SCHEMBL7724204 0.79 SIGMAR1 (0.78) SIGMAR1
SCHEMBL2185893 0.79 SIGMAR1 (0.68) SIGMAR1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3624033 0.78 SIGMAR1 (0.72) LOXL2SIGMAR1ALDH1A1CA12SMN1; SMN2
SCHEMBL1319729 0.78 HRH1 (0.83) LOXL2HRH1TDP1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198140-B1 OPTICAL DATA STORAGE MEDIUM HAVING CHROMOPHORE/POLYMER COORDINATED INFORMATION LAYER CELANESE CORPORATION (US) 1990-08-08 EP disclosed
EP-0154178-B1 NITROMETHYLENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND INSECTICIDAL, MITICIDAL AND NEMATICIDAL AGENTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-10-07 EP disclosed
US-4680294-A Pesticidal novel nitromethylene derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-07-14 US disclosed
US-4647570-A Pesticidal novel nitromethylene derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-03-03 US disclosed
EP-0094766-B1 QUINAZOLINE CARDIAC STIMULANTS Pfizer Limited (GB) 1986-12-30 EP disclosed
EP-0198140-A2 Optical data storage medium having chromophore/polymer coordinated information layer CELANESE CORPORATION (US) 1986-10-22 EP disclosed
US-4605607-A Optical data storage medium having organometallic chromophore/polymer coordinated information layer CELANESE CORPORATION (US) 1986-08-12 US disclosed
EP-0154178-A1 Nitromethylene derivatives, method for their preparation and insecticidal, miticidal and nematicidal agents NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-09-11 EP disclosed
US-4489075-A Cyclic sulfonamidoalkyl substituted 4-piperidinoquinazoline cardiac stimulants PFIZER INC. (US) 1984-12-18 US disclosed
EP-0094766-A2 Quinazoline cardiac stimulants Pfizer Limited (GB) 1983-11-23 EP disclosed