SCHEMBL8099648

SCHEMBL8099648

Brc1ccc(Oc2ccc(C(c3ccccc3)(c3ccccc3)c3ncc[nH]3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
TTBK1 Q5TCY1 2/20 0.35
TTBK2 Q6IQ55 2/20 0.35
FNTA P49354 1/20 0.35
PGGT1B P53609 1/20 0.35
MAPT P10636 1/20 0.34
MCL1 Q07820 2/20 0.34
LTA4H P09960 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MTOR P42345 1/20 0.33
ADK P55263 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL8309767 0.83 CYP19A1 (0.46) CYP19A1TTBK1TTBK2SMN1; SMN2LMNA
Trityl Imidazole SCHEMBL1572623 0.82 MTOR (0.45) CYP19A1ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL11089506 0.78 MTOR (0.45) CYP19A1ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL11535325 0.77 CYP19A1 (0.62) CYP19A1KMT2AMTORADKNISCH
SCHEMBL15263039 0.76 CYP19A1 (0.61) CYP19A1MTORADKNISCHADRA2A
SCHEMBL3827055 0.76 CYP19A1 (0.41) CYP19A1TSHRKMT2AMTORADK
SCHEMBL1484199 0.76 CYP19A1 (0.41) CYP19A1MTORADKNISCHADRA1A
SCHEMBL5738213 0.76 NISCH (0.43) CYP19A1ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL8307156 0.73 ABCG2 (0.36) FNTAPGGT1BMAPTMCL1LTA4H
SCHEMBL11669862 0.73 CYP19A1 (0.43) CYP19A1LTA4HALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003374-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-05-31 EP disclosed
EP-1003374-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-05-31 EP disclosed
EP-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1998028980-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed