SCHEMBL7749401

SCHEMBL7749401

Clc1cc(NCCCn2ccnc2)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
SOD1 P00441 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
QPCT Q16769 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SCN9A Q15858 1/20 0.49
ATM Q13315 1/20 0.49
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL29062412 0.78 QPCT (0.69) ALDH1A1GSK3AGSK3BSOD1SMN1; SMN2
SCHEMBL9849299 0.77 ALDH1A1 (0.65) ALDH1A1GSK3AGSK3BSOD1SMN1; SMN2
SCHEMBL17688782 0.76 ACP1 (0.68)
SCHEMBL9849889 0.76 GSK3A (0.64) ALDH1A1GSK3AGSK3BSOD1SMN1; SMN2
SCHEMBL4085125 0.75 GSK3A (0.75) ALDH1A1GSK3AGSK3BSOD1SMN1; SMN2
SCHEMBL11495035 0.74 SOD1 (0.67) ALDH1A1GSK3AGSK3BSOD1SMN1; SMN2
SCHEMBL28506410 0.74 SLC2A1 (0.57) SMN1; SMN2KDM4EL3MBTL1
SCHEMBL9849642 0.74 ALDH1A1 (0.61) ALDH1A1GSK3AGSK3BSOD1SMN1; SMN2
SCHEMBL7970502 0.73 QPCT (0.63) ALDH1A1GSK3AGSK3BSOD1KDM4E
SCHEMBL10061968 0.73 KDM4E (0.66) ALDH1A1SMN1; SMN2KDM4ETDP1L3MBTL1

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-6214996-B1 SHOWING EXCELLENT BRONCHIOCONSTRICTION INHIBITORY ACTIVITY,USEFUL IN THE PROPHYLAXIS OR TREATNEBT OF ASTHMA TANABE SEIYAKU CO., LTD. (JP) 2001-04-10 US disclosed
US-6005106-A BRONCHOCONSTRICTOR AGENTS USEFUL IN THE TREATMENT OF ASTHMA TANABE SEIYAKU CO., LTD. (JP) 1999-12-21 US disclosed
US-5969140-A AMINOPYRIDINE DERIVATIVES OF NAPHTHALENE FOR TREATMENT OF ASTHMA AND BRONCHOCONSTRICTOR INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1999-10-19 US disclosed
EP-0748805-B1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO (JP) 1998-04-08 EP disclosed
EP-0748805-A1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO., LTD. (JP) 1996-12-18 EP disclosed