SCHEMBL17844228

SCHEMBL17844228

Cc1cc(C)n(CCCNc2c(-c3ccccc3)sn(C(C)(C)C)c2=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 2/20 0.39
SOAT1 P35610 4/20 0.38
ACAT1 P24752 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CASP3 P42574 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL17844227 0.79 POLB (0.39) KDM4ELMNAHTTALDH1A1SMN1; SMN2
SCHEMBL17844110 0.77 MAOA (0.40) KMT2A
SCHEMBL17844229 0.76 MEN1 (0.48) KDM4ELMNAHTTALDH1A1CASP3
SCHEMBL17844139 0.75 FDPS (0.36) CYP1A2CYP2D6ALDH1A1CASP3SMN1; SMN2
SCHEMBL17844176 0.74 ADORA3 (0.35) CYP3A4CYP2D6GABRA5
SCHEMBL17844232 0.73 DRD2 (0.44) KDM4E
SCHEMBL17844236 0.73 DRD2 (0.44) KDM4ELMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL17844244 0.73 MTNR1A (0.40) KDM4ELMNAALDH1A1
SCHEMBL3551960 0.73 BRD4 (0.39) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL17844148 0.72 KMT2A (0.40) KDM4EHTTALDH1A1SMN1; SMN2MAPT

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
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed