SCHEMBL4745368

SCHEMBL4745368

CC(C)(c1ccccc1)c1ccc(OCCCCCBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
KDM4E B2RXH2 10/20 0.56
ALDH1A1 P00352 8/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
HTT P42858 2/20 0.56
POLB P06746 2/20 0.54
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.48
KCNA3 P22001 1/20 0.47
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44

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
SCHEMBL10805417 0.92 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL9787289 0.90 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL3264835 0.86 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL26981901 0.84 KDM4E (0.63) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL7642387 0.83 HRH3 (0.56) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL17334551 0.83 HRH3 (0.56) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL8467184 0.83 HRH3 (0.56) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL11050244 0.81 HRH3 (0.54) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL3267040 0.81 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL8672714 0.81 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A

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-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed