SCHEMBL11233835

SCHEMBL11233835

CC1COC(CCn2ccnc2)(c2ccc(C(C)(C)C)cc2)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 2/20 0.45
HMOX1 P09601 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 3/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NOS1 P29475 1/20 0.36
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL11245162 0.88 HMOX1 (0.47) KMT2APOLBHMOX1TDP1NPSR1
SCHEMBL11243032 0.88 HMOX1 (0.57) HMOX1KDM4ETP53
SCHEMBL11235557 0.86 HMOX1 (0.47) HMOX1CYP11B1CYP11B2
SCHEMBL10852330 0.86 HMOX1 (0.46) KMT2AMEN1POLBHMOX1TDP1
SCHEMBL11246401 0.85 MEN1 (0.46) KMT2AMEN1HMOX1KDM4EMAPT
SCHEMBL11248672 0.84 KMT2A (0.50) KMT2AMEN1POLBHMOX1SMN1; SMN2
SCHEMBL11236215 0.82 HMOX1 (0.42) KMT2AHMOX1LMNAGAANPSR1
SCHEMBL11239975 0.82 KMT2A (0.48) KMT2AMEN1POLBHMOX1SMN1; SMN2
SCHEMBL11235683 0.81 HMOX1 (0.55) HMOX1TP53ALDH1A1
SCHEMBL11247263 0.81 QPCT (0.45) POLBHMOX1TDP1NPSR1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed