SCHEMBL7468628

SCHEMBL7468628

NC(=O)c1cccc(OCCn2ccnc2)c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.80
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 3/20 0.65
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56

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
Hydrochloric Acid SCHEMBL10750155 0.88 TBXAS1 (0.97) TBXAS1ALDH1A1KDM4EMEN1LMNA
SCHEMBL3005716 0.84 TBXAS1 (1.00) TBXAS1ALDH1A1KDM4EMEN1LMNA
SCHEMBL1928520 0.80 TBXAS1 (0.68) TBXAS1ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL9451380 0.80 TBXAS1 (0.68) TBXAS1ALDH1A1KDM4EKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7460532 0.78 TBXAS1 (0.59) TBXAS1ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6302832 0.78 TBXAS1 (0.87) TBXAS1MEN1LMNAKMT2A
SCHEMBL12382 0.78 KMT2A (0.87) TBXAS1ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL3581172 0.78 ALDH1A1 (0.85) TBXAS1ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL25344191 0.77 TBXAS1 (0.64) TBXAS1ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL8685423 0.77 TBXAS1 (0.80) TBXAS1MEN1LMNAKMT2A

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
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 EP disclosed
US-4876252-A ADMINISTERING ANTIASTHMATIC OR ANTIALLERGEN AMERICAN CYANAMID COMPANY (US) 1989-10-24 US disclosed
US-4788195-A TREATING ASTHMA, ALLERGIC DISEASES, INFLAMMATION AND DIABETES IN MAMMALS AMERICAN CYANAMID COMPANY (US) 1988-11-29 US disclosed
EP-0233461-A2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID COMPANY (US) 1987-08-26 EP disclosed