SCHEMBL7879569

SCHEMBL7879569

CC(C)(NCCCn1ccnc1)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PRKCI P41743 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL7873790 0.96 QPCT (0.46) QPCTMEN1KMT2APOLBNPC1
SCHEMBL8949449 0.88 ALDH1A1 (0.56) QPCTMEN1KMT2APOLBNPC1
SCHEMBL8443962 0.87 LMNA (0.56) QPCTMEN1KMT2APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL8949432 0.87 ALDH1A1 (0.55) QPCTMEN1KMT2APOLBNPC1
SCHEMBL13696720 0.86 CYP11B1 (0.55) QPCTSMN1; SMN2PRKCIALDH1A1
Hydrochloric Acid SCHEMBL2887150 0.86 LMNA (0.55) QPCTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL8949312 0.85 LMNA (0.48) QPCTMEN1KMT2APOLBNPC1
SCHEMBL8445910 0.85 CYP19A1 (0.47) QPCTMEN1KMT2APOLBNPC1
SCHEMBL8444382 0.85 GSK3A (0.48) QPCTMEN1KMT2APOLBNPC1
SCHEMBL7877319 0.84 QPCT (0.44) QPCTMEN1KMT2APOLBNPC1

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