SCHEMBL9901704

SCHEMBL9901704

CC1(C)CC(NC(=N)Nc2ccc(Cl)cc2)C(C)(C)N1O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL9901421 0.87 EPHX2 (0.36) EPHX2ALDH1A1SMN1; SMN2NPC1EPHX1
SCHEMBL9902746 0.87 OPRM1 (0.37) EPHX2LMNACHRNA7ALDH1A1SMN1; SMN2
SCHEMBL9901445 0.87 EPHX2 (0.33) EPHX2LMNAPOLBALDH1A1NPSR1
SCHEMBL9901577 0.86 GAA (0.34) EPHX2LMNAP2RX7POLBALDH1A1
SCHEMBL9903481 0.85 KMT2A (0.38) EPHX2LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL9901787 0.84 GAA (0.43) EPHX2LMNAALDH1A1EPHX1HTT
SCHEMBL9902706 0.84 KCNQ3 (0.35) GAA
SCHEMBL9901779 0.81 SMARCA2 (0.39) GAA
SCHEMBL9901795 0.80 P2RX7 (0.36) EPHX2LMNAP2RX7ALDH1A1SMN1; SMN2
SCHEMBL9905759 0.79 KCNQ3 (0.33) GAA

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-2649048-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF Radikal Therapeutics Inc. (US) 2013-10-16 — — EP disclosed
WO-2012077108-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2012-06-14 — — WO disclosed
Send feedback