SCHEMBL9901609

SCHEMBL9901609

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 12/20 0.35
FPR3 P25089 6/20 0.35
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 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 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 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 1.00 FPR2 (0.35) FPR2FPR3RAB9ASMN1; SMN2MEN1
SCHEMBL9902154 0.92 KDM4E (0.38) FPR2FPR3RAB9ASMN1; SMN2MEN1
SCHEMBL9901873 0.89 USP30 (0.36) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL16994489 0.89 P2RX7 (0.38) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL16994497 0.89 P2RX7 (0.37) RAB9ASMN1; SMN2MEN1KMT2AEPHX1
SCHEMBL9902381 0.89 P2RX7 (0.37) RAB9ASMN1; SMN2MEN1KMT2AEPHX1
SCHEMBL9902380 0.89 P2RX7 (0.37) RAB9ASMN1; SMN2MEN1KMT2AEPHX1
SCHEMBL9902049 0.88 EGFR (0.33) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL9902048 0.88 EGFR (0.33) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL17271384 0.87 KDM4E (0.44) KMT2ALMNAEPHX1KDM4EGAA

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