SCHEMBL7586172

SCHEMBL7586172

Cc1nc(C)n(CCCOCc2ccccc2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
TNF P01375 1/20 0.38
TEAD3 Q99594 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 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
Hydrochloric Acid SCHEMBL7530362 0.77 MEN1 (0.40) ALDH1A1LMNATP53HTTMEN1
SCHEMBL3524552 0.76 MAOA (0.45) ALDH1A1LMNATP53HTTMEN1
SCHEMBL6597617 0.73 MEN1 (0.41) LMNATP53HTTMEN1KMT2A
SCHEMBL22165760 0.70 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ATNF
SCHEMBL7697272 0.68 TEAD3 (0.39) ALDH1A1MEN1KMT2AL3MBTL1TEAD3
SCHEMBL6599808 0.68 MEN1 (0.40) LMNATP53HTTMEN1KMT2A
SCHEMBL2640223 0.68 TSHR (0.70) L3MBTL1TDP1HRH4HRH3TSHR
SCHEMBL8621469 0.68 TSHR (0.70) L3MBTL1TEAD3TDP1HRH4HRH3
SCHEMBL38659431 0.68 CYP1A2 (0.40) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL15284036 0.68 MEN1 (0.49) ALDH1A1LMNATP53MEN1KMT2A

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
EP-1169320-A4 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2002-10-30 EP disclosed
EP-1169320-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG Chem Investment, Ltd. (KR) 2002-01-09 EP disclosed
WO-2000064891-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD. (KR) 2000-11-02 WO disclosed