SCHEMBL6292244

SCHEMBL6292244

[c]1cccc(OCCCn2ccnc2)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
TBXAS1 P24557 1/20 0.58
QPCT Q16769 1/20 0.58
MEN1 O00255 2/20 0.57
ATM Q13315 1/20 0.57
NOS1 P29475 2/20 0.55
ALDH1A1 P00352 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HMOX2 P30519 1/20 0.55
HTT P42858 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL4902296 0.93 TBXAS1 (0.68) KMT2ATBXAS1NOS1ALDH1A1
SCHEMBL12045305 0.82 TBXAS1 (0.84) KMT2ATBXAS1QPCTMEN1ATM
Hydrochloric Acid SCHEMBL9996074 0.81 TBXAS1 (0.82) KMT2ATBXAS1QPCTMEN1ATM
Hydrochloric Acid SCHEMBL2529362 0.79 MEN1 (0.85) KMT2ATBXAS1QPCTMEN1ATM
SCHEMBL12045307 0.78 TBXAS1 (0.82) KMT2ATBXAS1MEN1NOS1ALDH1A1
SCHEMBL8638819 0.77 CACNA1B (0.77) KMT2ATBXAS1QPCTMEN1ATM
SCHEMBL10476929 0.77 TBXAS1 (0.79) KMT2ATBXAS1MEN1NOS1ALDH1A1
Hydrochloric Acid SCHEMBL9996079 0.77 TBXAS1 (0.79) KMT2ATBXAS1MEN1ATMNOS1
SCHEMBL1927388 0.75 KMT2A (0.71) KMT2ATBXAS1QPCTNOS1ALDH1A1
SCHEMBL15075252 0.75 KMT2A (1.00) KMT2AQPCTMEN1NOS1ALDH1A1

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
US-6979693-B2 Pyrazole derivatives-p38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-12-27 US disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 US disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed