SCHEMBL6017656

SCHEMBL6017656

CC(O)(CNC(=O)c1ccccc1Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HPGD P15428 4/20 0.52
CYP1A2 P05177 1/20 0.50
POLB P06746 2/20 0.49
GPR139 Q6DWJ6 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
P2RX7 Q99572 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL8588291 0.82 KMT2A (0.47) SIGMAR1HTTCYP2C19
SCHEMBL9684810 0.77 CYP2C19 (0.56) RAB9APOLBHTTCYP2C19LMNA
SCHEMBL9684808 0.77 CYP2C19 (0.56) RAB9APOLBHTTCYP2C19LMNA
SCHEMBL1116608 0.76 HPGD (0.57) NPC1RAB9AHPGDCYP1A2POLB
SCHEMBL31275700 0.76 HPGD (0.57) NPC1RAB9AHPGDCYP1A2POLB
SCHEMBL5643015 0.75 POLB (0.55) NPC1RAB9AHPGDCYP1A2POLB
SCHEMBL4148749 0.74 HPGD (0.70) NPC1RAB9AHPGDCYP1A2POLB
SCHEMBL8591090 0.73 RAB9A (0.49) NPC1RAB9APOLBCYP2C19LMNA
SCHEMBL2490818 0.73 RAB9A (0.63) NPC1RAB9AHPGDCYP1A2POLB
SCHEMBL10605231 0.72 POLB (0.64) NPC1RAB9AHPGDCYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429783-A4 MULTI-USE MULTIMODAL IMAGING CHELATES UNIV TEXAS TECH (US) 2006-08-09 EP disclosed
EP-1429783-A2 MULTI-USE MULTIMODAL IMAGING CHELATES TEXAS TECH UNIVERSITY (US) 2004-06-23 EP disclosed
WO-2003020701-A9 MULTI-USE MULTIMODAL IMAGING CHELATES UNIV TEXAS TECH (US) 2003-09-12 WO disclosed
WO-2003020701-A2 MULTI-USE MULTIMODAL IMAGING CHELATES TEXAS TECH UNIVERSITY (US) 2003-03-13 WO disclosed