SCHEMBL8330770

SCHEMBL8330770

O=C1CCCCN1c1ccc(CBr)cc1.O=C1CCCCN1c1ccc(CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.48
USP2 O75604 2/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
AKR1C3 P42330 2/20 0.44
ACACB O00763 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.41

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
SCHEMBL8149641 0.92 ALDH1A1 (0.57) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL8154285 0.92 ALDH1A1 (0.53) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL123930 0.89 ALDH1A1 (0.57) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL14473350 0.89 ALDH1A1 (0.62) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL12676673 0.80 ALDH1A1 (0.54) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL1907807 0.76 ALDH1A1 (0.58) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL79080 0.76 ALDH1A1 (0.53) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL21770514 0.76 ALDH1A1 (0.53) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL1696787 0.76 USP2 (0.55) ALDH1A1HPGDUSP2MAPTLMNA
SCHEMBL2644969 0.75 ALDH1A1 (0.61) ALDH1A1HPGDUSP2MAPTLMNA

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-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed