SCHEMBL7873908

SCHEMBL7873908

CC(C)(COc1ccccc1)NCCCn1cnc(CCNC(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 5/20 0.40
ESRRG P62508 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7879771 0.83 CYP2C9 (0.38) TSHRTDP1
SCHEMBL7875247 0.81 ESRRG (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7873737 0.81 GAA (0.41) SMN1; SMN2POLBMEN1KMT2AGAA
SCHEMBL7877070 0.81 ESRRG (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7877035 0.80 NPC1 (0.41) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL7868627 0.78 MAPT (0.47) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL7868567 0.75 NOS3 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9022390 0.72 HTR1B (0.38) TSHRHTR1ACYP2D6SCN1ASLC6A3
SCHEMBL7873758 0.71 TBXAS1 (0.56) SMN1; SMN2POLBMEN1KMT2AGAA
SCHEMBL7877299 0.68 TP53 (0.40) NPC1RAB9ASMN1; SMN2MAPTESRRG

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