SCHEMBL7873790

SCHEMBL7873790

CC(C)(NCCCn1ccnc1)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PRKCI P41743 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL7879569 0.96 QPCT (0.49) QPCTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL8444382 0.89 GSK3A (0.48) QPCTPOLBMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8445872 0.88 ALDH1A1 (0.47) QPCTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL8949449 0.85 ALDH1A1 (0.56) QPCTPOLBMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8949432 0.84 ALDH1A1 (0.55) QPCTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL8443962 0.84 LMNA (0.56) QPCTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL13696720 0.83 CYP11B1 (0.55) QPCTSMN1; SMN2PRKCIALDH1A1
Hydrochloric Acid SCHEMBL2887150 0.82 LMNA (0.55) QPCTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL8949312 0.82 LMNA (0.48) QPCTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL8445910 0.82 CYP19A1 (0.47) QPCTPOLBMEN1KMT2ASMN1; SMN2

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-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
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed