SCHEMBL3475236

SCHEMBL3475236

O=C(O)c1c(F)n(C2CC2)c2cc(N3CCNCC3)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
TOP2A P11388 1/20 0.44
CYP2C9 P11712 1/20 0.44
TOP2B Q02880 1/20 0.44
KHK P50053 13/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL30504558 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL10922225 0.84 KDM4E (0.42) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL27445945 0.83 CMA1 (0.40) ALDH1A1HSD17B10KDM4ELMNAHPGD
Hydrochloric Acid SCHEMBL27602949 0.80 KHK (0.45) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL25377498 0.78 MEN1 (0.40) KHK
SCHEMBL9593010 0.78 MAT2A (0.45) ALDH1A1CYP1A2
SCHEMBL18426583 0.77 LMNA (0.44) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL27421056 0.77 KDR (0.42) ALDH1A1HSD17B10KDM4ELMNAHPGD
Hydrochloric Acid SCHEMBL25379174 0.77 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAHPGDKHK
SCHEMBL8992827 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4ELMNAHPGD

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
WO-2010062837-A2 MULTIVALENT, DRYING RESISTANT, EVOLUTION-BASED VACCINES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-03 WO disclosed
EP-1833838-A2 CATIONIC LIPOSOMES COMPRISING A CHARGE NEUTRAL COMPOUND AND A CATIONIC PHOSPHOLIPID Applera Corporation, Applied Biosystems Group (US) 2007-09-19 EP disclosed
WO-2006065960-A2 CATIONIC LIPOSOMES COMPRISING A CHARGE NEUTRAL COMPOUND AND A CATIONIC PHOSPHOLIPID APPLERA CORPORATION (US) 2006-06-22 WO disclosed