SCHEMBL7876935

SCHEMBL7876935

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ESRRG P62508 1/20 0.54
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
CYP19A1 P11511 1/20 0.50
NAMPT P43490 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL7873773 0.84 SMN1; SMN2 (0.49) SMN1; SMN2NPC1KMT2AMEN1TSHR
SCHEMBL8445910 0.82 CYP19A1 (0.47) SMN1; SMN2NPC1KMT2AMEN1POLB
SCHEMBL1775216 0.82 SMN1; SMN2 (0.82) SMN1; SMN2NPC1KMT2AMEN1TSHR
SCHEMBL13696720 0.82 CYP11B1 (0.55) SMN1; SMN2ALDH1A1CYP19A1
SCHEMBL7873784 0.82 ALDH1A1 (0.55) SMN1; SMN2KMT2AALDH1A1POLBHTT
SCHEMBL9271417 0.80 HMOX1 (0.50) SMN1; SMN2NPC1KMT2AMEN1POLB
SCHEMBL7868767 0.80 CYP19A1 (0.47) KMT2AMEN1POLBCYP19A1
SCHEMBL8444382 0.80 GSK3A (0.48) SMN1; SMN2NPC1KMT2AMEN1ALDH1A1
SCHEMBL7876908 0.79 HMOX1 (0.48) SMN1; SMN2KMT2AMEN1TSHRALDH1A1
SCHEMBL7879591 0.79 ALDH1A1 (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1POLB

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