SCHEMBL28086194

SCHEMBL28086194

CC(C)OC(=O)C1CCCN1C(=O)c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 6/20 0.47
▸ CXCR2 P25025 6/20 0.47
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ KCNK3 O14649 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL14904772 1.00 CXCR1 (0.47) CXCR1CXCR2MAPTKMT2AKCNK3
SCHEMBL18556234 0.88 MAPT (0.43) CXCR1CXCR2MAPTKMT2AKCNK3
SCHEMBL14904771 0.88 GAA (0.47) CXCR1CXCR2MAPTKMT2AKDM4E
SCHEMBL14904738 0.85 MAPT (0.56) CXCR1CXCR2MAPTKMT2AKDM4E
SCHEMBL18556235 0.85 MAPT (0.56) CXCR1CXCR2MAPTKMT2AKDM4E
SCHEMBL14904773 0.84 CXCR1 (0.49) CXCR1CXCR2KCNK3GAACNR1
SCHEMBL14895239 0.83 SMN1; SMN2 (0.48) CXCR1CXCR2MAPTKMT2A
SCHEMBL14895238 0.83 SMN1; SMN2 (0.48) CXCR1CXCR2MAPTKMT2A
SCHEMBL16144470 0.81 KMT2A (0.50) MAPTKMT2ALMNAGAA
SCHEMBL7979807 0.77 KMT2A (0.54) MAPTKMT2ALMNACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103906738-B For treating new dibasic 3,4-diaminourea-3-cyclobutane-1,2-dione compounds of chemokine mediated disease 高德美研究及发展公司 2016-09-07 — — CN disclosed
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