SCHEMBL3660038

SCHEMBL3660038

O=c1[nH]c(-c2cc(Cl)ccc2OP(=O)(O)O)nc2ccc(Cl)cc12.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.48
TNKS2 Q9H2K2 2/20 0.48
PARP1 P09874 2/20 0.48
GUSB P08236 4/20 0.47
KDM4E B2RXH2 2/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 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
SCHEMBL1232936 0.99 TNKS (0.49) TNKSTNKS2PARP1GUSBKDM4E
SCHEMBL29351150 0.99 TNKS (0.49) TNKSTNKS2PARP1GUSBKDM4E
Ammonia Solution, Strong SCHEMBL9010745 0.98 TNKS (0.48) TNKSTNKS2PARP1GUSBKDM4E
SCHEMBL3660037 0.87 GUSB (0.48) TNKSTNKS2PARP1GUSBKDM4E
SCHEMBL3657188 0.84 TNKS (0.43) TNKSTNKS2PARP1GUSBKDM4E
SCHEMBL13053383 0.84 TNKS (0.43) TNKSTNKS2PARP1GUSBKDM4E
SCHEMBL1461063 0.83 GUSB (0.51) TNKSTNKS2PARP1GUSBKDM4E
Ammonia Solution, Strong SCHEMBL9010817 0.82 GUSB (0.50) TNKSTNKS2PARP1GUSBKDM4E
Phosphoric Acid SCHEMBL3660040 0.82 GUSB (0.53) TNKSTNKS2PARP1GUSBKDM4E
SCHEMBL13953178 0.82 AMY1A (0.57) TNKSTNKS2PARP1GUSBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100291591-A1 NOVEL PLATING MEDIA Life Technologies Corporation (US) 2010-11-18 US claimed
EP-2209906-A2 NOVEL PLATING MEDIA Life Technologies Corporation (US) 2010-07-28 EP claimed
WO-2009061733-A2 NOVEL PLATING MEDIA INVITROGEN CORPORATION (US) 2009-05-14 WO claimed
US-20100291591-A1 NOVEL PLATING MEDIA Life Technologies Corporation (US) 2010-11-18 US disclosed
EP-2209906-A2 NOVEL PLATING MEDIA Life Technologies Corporation (US) 2010-07-28 EP disclosed
WO-2009061733-A2 NOVEL PLATING MEDIA INVITROGEN CORPORATION (US) 2009-05-14 WO disclosed