SCHEMBL22874652

SCHEMBL22874652

CC(C)Nc1ccc(OCc2cccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
ACACB O00763 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RAB9A P51151 2/20 0.50
ADAMTS4 O75173 1/20 0.49
GPR132 Q9UNW8 4/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MMP13 P45452 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL21340438 0.84 MAPK1 (0.56) MAPK1ACACBMEN1KMT2ARAB9A
SCHEMBL12963727 0.83 ACACB (0.50) MAPK1ACACBMEN1KMT2ARAB9A
SCHEMBL28048524 0.83 MAPK1 (0.64) MAPK1ACACBMEN1KMT2ARAB9A
SCHEMBL6958985 0.82 F2 (0.49) RAB9AADAMTS4MMP13SMN1; SMN2GAA
SCHEMBL7468581 0.82 LTA4H (0.58) MEN1KMT2ARAB9AALDH1A1TP53
SCHEMBL18997950 0.81 SMN1; SMN2 (0.53) MAPK1ACACBRAB9AADAMTS4GPR132
SCHEMBL22967693 0.80 MAPK1 (0.52) MAPK1ACACBMEN1KMT2ARAB9A
SCHEMBL7255986 0.80 CRHBP (0.54) MAPK1ACACBMEN1KMT2ARAB9A
SCHEMBL2736161 0.79 ACACB (0.60) MAPK1ACACBADAMTS4GPR132ALDH1A1
SCHEMBL7260691 0.79 KMT2A (0.64) MAPK1ACACBMEN1KMT2ARAB9A

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-3760633-B1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2021-12-15 EP disclosed
EP-3760633-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-01-06 EP disclosed