SCHEMBL8307156

SCHEMBL8307156

Brc1ccc(Oc2c[nH]c(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.36
MCL1 Q07820 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
THRB P10828 1/20 0.32
MAPT P10636 1/20 0.32
FNTA P49354 1/20 0.31
PGGT1B P53609 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LTA4H P09960 1/20 0.31
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL8309765 0.82 LMNA (0.40) HTTLMNAJAK2JAK1JAK3
SCHEMBL8099648 0.73 CYP19A1 (0.36) ABCG2MCL1ALDH1A1TSHRMAPT
SCHEMBL5240366 0.73 KCNN4 (0.31)
SCHEMBL3827052 0.66 KCNN4 (0.33) ALDH1A1TSHRHPGDMAPTKMT2A
SCHEMBL1484198 0.66 KCNN4 (0.31)
SCHEMBL5738210 0.66 ADORA2A (0.32)
SCHEMBL4272018 0.64 HAO1 (0.44) ALDH1A1TSHRHPGDMAPTHAO1
SCHEMBL5286108 0.64 ALDH1A1 (0.40) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL3956177 0.64 ALDH1A1 (0.53) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL3083376 0.64 ALDH1A1 (0.53) ALDH1A1TSHRMAPTNPC1RAB9A

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-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed