SCHEMBL6927965

SCHEMBL6927965

Cc1ccc(COc2ccc(C=O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
LMNA P02545 5/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 8/20 0.50
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.49
TACR2 P21452 1/20 0.48
MAPK1 P28482 1/20 0.47
ALDH3A1 P30838 1/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH5A1 P51649 1/20 0.46

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
SCHEMBL6929884 0.90 ALDH1A1 (0.57) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL26654775 0.87 ALDH1A1 (0.61) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4319388 0.87 ALDH1A1 (0.54) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4643645 0.86 CTSV (0.57) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL1508495 0.82 VCAM1 (0.57) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL6234734 0.81 ALDH1A1 (0.48) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL662081 0.80 ALDH1A1 (0.57) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL13220970 0.80 ALDH1A1 (0.70) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL19332171 0.78 ALDH1A1 (0.54) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL9153926 0.78 ALDH1A1 (0.58) ALDH1A1LMNACYP1A2CYP2D6CYP2C9

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
US-6518268-B1 Telomerase inhibitors and methods of their use GERON CORPORATION 2003-02-11 US disclosed
CN-1321153-A telomerase inhibitors and methods of use thereof GERON CORP (US) 2001-11-07 CN disclosed
WO-2001002377-A9 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORP (US) 2001-10-11 WO disclosed
EP-1109796-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE Geron Corporation (US) 2001-06-27 EP disclosed
WO-2001002377-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORPORATION (US) 2001-01-11 WO disclosed