SCHEMBL8208658

SCHEMBL8208658

CCC(CCBr)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
RECQL P46063 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL7732959 0.82 CYP1A2 (0.48) CYP1A2ALDH1A1TSHRHSD17B10MEN1
SCHEMBL19523166 0.80 ALDH1A1 (0.49) CYP1A2ALDH1A1TSHRHSD17B10MEN1
SCHEMBL7731192 0.80 ALDH1A1 (0.47) CYP1A2ALDH1A1TSHRHSD17B10MEN1
SCHEMBL9746670 0.79 ALDH1A1 (0.49) CYP1A2ALDH1A1TSHRHSD17B10MEN1
SCHEMBL7723426 0.79 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRHSD17B10MEN1
SCHEMBL28182782 0.79 L3MBTL1 (0.47) CYP1A2ALDH1A1TSHRHSD17B10MEN1
SCHEMBL18138445 0.78 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRHSD17B10MEN1
SCHEMBL3127219 0.77 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRHSD17B10MEN1
SCHEMBL7733082 0.76 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRHSD17B10MEN1
SCHEMBL5609694 0.76 CYP1A2 (0.49) CYP1A2ALDH1A1TSHRHSD17B10MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071935-A Derivatives of 2-(2-oxo-ethylidene)-imidazolidin-4-one and their use as farnesyl protein transferase inhibitors PFIZER INC. (US) 2000-06-06 US disclosed
EP-0907649-A1 DERIVATIVES OF 2-(2-OXO-ETHYLIDENE)-IMIDAZOLIDIN-4-ONE AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS PFIZER INC. (US) 1999-04-14 EP disclosed
WO-1997049700-A1 DERIVATIVES OF 2-(2-OXO-ETHYLIDENE)-IMIDAZOLIDIN-4-ONE AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS PFIZER INC. (US) 1997-12-31 WO disclosed