SCHEMBL6635404

SCHEMBL6635404

O=C(c1ccc2ccccc2c1)N1CCN(Cc2c[nH]cn2)c2ccc(Br)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.41
FNTA P49354 8/20 0.40
FNTB P49356 8/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
AKR1C1 Q04828 1/20 0.39
LMNA P02545 3/20 0.39
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3500364 0.90 TSHR (0.48) TSHRHPGDNPC1FNTAFNTB
SCHEMBL3499967 0.89 FNTA (0.52) TSHRHPGDNPC1FNTAFNTB
SCHEMBL3501162 0.85 FNTA (0.56) FNTAFNTBMEN1KMT2APOLB
SCHEMBL3499493 0.80 FNTA (0.49) TSHRHPGDFNTAFNTBALDH1A1
SCHEMBL3502482 0.79 FNTA (0.52) TSHRFNTAFNTBMEN1KMT2A
SCHEMBL3502205 0.78 FNTA (0.49) FNTAFNTB
SCHEMBL3502162 0.78 FNTA (0.50) TSHRHPGDFNTAFNTBPOLB
SCHEMBL3499635 0.78 FNTA (0.57) FNTAFNTBLMNAALDH1A1
SCHEMBL3499836 0.78 FNTA (0.57) FNTAFNTBMEN1KMT2ALMNA
SCHEMBL3501377 0.76 FNTA (0.57) FNTAFNTBMEN1KMT2ALMNA

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
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed