SCHEMBL10695759

SCHEMBL10695759

COc1cccc2c(=O)n3c(C)c(C)sc3nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TNKS O95271 7/20 0.41
TNKS2 Q9H2K2 7/20 0.41
PARP1 P09874 3/20 0.41
PARP2 Q9UGN5 4/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL9770629 0.87 TNKS (0.42) CYP1A1CYP1A2CYP1B1TNKSTNKS2
SCHEMBL10694328 0.83 ELANE (0.42) RXFP1TNKSTNKS2PARP1KDM4E
SCHEMBL10696216 0.81 PARP1 (0.44) RXFP1PARP1KDM4EALDH1A1HPGD
SCHEMBL9533817 0.81 TNKS (0.43) CYP1A1CYP1A2CYP1B1TNKSTNKS2
SCHEMBL10694920 0.79 ELANE (0.47) RXFP1KDM4EALDH1A1HPGDKCNH2
SCHEMBL9536686 0.79 KDM4E (0.59) CYP1A1CYP1A2CYP1B1RXFP1TNKS
SCHEMBL9533606 0.73 TNKS (0.43) CYP1A1CYP1A2CYP1B1TNKSTNKS2
SCHEMBL9534241 0.72 PKM (0.50) CYP1A1CYP1A2CYP1B1TNKSTNKS2
SCHEMBL7571452 0.72 HRH3 (0.50) CYP1A1CYP1A2CYP1B1TNKSTNKS2
SCHEMBL10695331 0.70 PDE7A (0.43) TNKSTNKS2PARP1PARP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed