SCHEMBL7877372

SCHEMBL7877372

CC(C)(NCCCn1ccnc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
CYP19A1 P11511 2/20 0.43
LMNA P02545 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
SCHEMBL9021138 0.91 SMN1; SMN2 (0.41) KMT2AMEN1POLBCYP19A1LMNA
SCHEMBL13696720 0.82 CYP11B1 (0.55) ALDH1A1CYP19A1
SCHEMBL7873915 0.82 SMN1; SMN2 (0.47) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL8444382 0.81 GSK3A (0.48) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL8446862 0.81 QPCT (0.61) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL7873784 0.80 ALDH1A1 (0.55) KMT2APOLBALDH1A1CYP19A1LMNA
Hydrochloric Acid SCHEMBL7875165 0.80 QPCT (0.60) KMT2AMEN1POLBALDH1A1MAPT
Hydrochloric Acid SCHEMBL8445872 0.80 ALDH1A1 (0.47) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL7868649 0.78 QPCT (0.58) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL8949449 0.77 ALDH1A1 (0.56) KMT2AMEN1POLBALDH1A1MAPT

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-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed