SCHEMBL9901674

SCHEMBL9901674

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 6/20 0.34
▸ FPR3 P25089 2/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ QPCT Q16769 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16994496 0.89 P2RX7 (0.39) RAB9ASMN1; SMN2
SCHEMBL16994512 0.88 P2RX7 (0.39) KDM4ESMN1; SMN2
SCHEMBL17271378 0.88 P2RX7 (0.39) KDM4ESMN1; SMN2
SCHEMBL9905805 0.86 P2RX7 (0.39) KDM4E
SCHEMBL9905806 0.86 P2RX7 (0.39) KDM4E
SCHEMBL16994500 0.86 P2RX7 (0.39) KDM4E
SCHEMBL9902154 0.86 KDM4E (0.38) FPR2FPR3OPRM1OPRD1TDP1
SCHEMBL9901652 0.84 QPCT (0.37) QPCTRAB9ASMN1; SMN2
SCHEMBL16994506 0.84 QPCT (0.37) QPCTRAB9ASMN1; SMN2
SCHEMBL9901650 0.84 QPCT (0.37) QPCTRAB9ASMN1; SMN2

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
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