SCHEMBL9902154

SCHEMBL9902154

CC1(C)CC(NC(=NC#N)Nc2ccc(Br)cc2)CC(C)(C)N1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 3/20 0.36
FPR2 P25090 6/20 0.35
FPR3 P25089 3/20 0.35
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL9901606 0.92 FPR2 (0.35) KDM4EGAAKMT2AFPR2FPR3
SCHEMBL9901609 0.92 FPR2 (0.35) KDM4EGAAKMT2AFPR2FPR3
SCHEMBL9902190 0.88 P2RX7 (0.41) KDM4EGAAKMT2ARAB9ASMN1; SMN2
SCHEMBL9902214 0.88 KDM4E (0.38) KDM4EGAAKMT2ARAB9ASMN1; SMN2
SCHEMBL16994515 0.88 P2RX7 (0.41) KDM4EGAAKMT2ARAB9ASMN1; SMN2
SCHEMBL9902217 0.88 KDM4E (0.38) KDM4EGAAKMT2ARAB9ASMN1; SMN2
SCHEMBL16994523 0.88 P2RX7 (0.43) KDM4EGAAKMT2ARAB9ASMN1; SMN2
SCHEMBL9901441 0.88 P2RX7 (0.43) KDM4EGAAKMT2ARAB9ASMN1; SMN2
SCHEMBL18727707 0.86 EGFR (0.36) KDM4EGAAKMT2ACA1CA2
SCHEMBL18727708 0.86 EGFR (0.36) KDM4EGAAKMT2ACA1CA2

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