SCHEMBL4557188

SCHEMBL4557188

O=C(O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.78
NPC1 O15118 2/20 0.78
ALDH1A1 P00352 2/20 0.78
LMNA P02545 2/20 0.78
CYP1A2 P05177 2/20 0.78
CYP2C9 P11712 2/20 0.78
HTT P42858 2/20 0.78
HIF1A Q16665 2/20 0.78
TUBB4A P04350 2/20 0.78
TUBB P07437 2/20 0.78
TUBA3C P0DPH7 2/20 0.78
TUBA1B P68363 2/20 0.78
TUBA4A P68366 2/20 0.78
TUBB4B P68371 2/20 0.78
TUBB3 Q13509 2/20 0.78
TUBB2A Q13885 2/20 0.78
TUBB8 Q3ZCM7 2/20 0.78
TUBA3E Q6PEY2 2/20 0.78
TUBA1A Q71U36 2/20 0.78
TUBA1C Q9BQE3 2/20 0.78

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
SCHEMBL4204424 0.91 NPC1 (0.64) ABL1NPC1ALDH1A1LMNACYP1A2
Nocodazole SCHEMBL29573963 0.87 ABL1 (1.00) ABL1NPC1ALDH1A1LMNACYP1A2
Nocodazole SCHEMBL2324427 0.87 ABL1 (1.00) ABL1NPC1ALDH1A1LMNACYP1A2
SCHEMBL24209744 0.86 ABL1 (0.81) ABL1NPC1ALDH1A1LMNACYP1A2
SCHEMBL11258670 0.85 ABL1 (0.69) ABL1NPC1ALDH1A1LMNACYP1A2
SCHEMBL4455699 0.82 ABL1 (0.77) ABL1NPC1ALDH1A1LMNACYP1A2
SCHEMBL11294519 0.80 ABL1 (0.65) ABL1NPC1ALDH1A1LMNACYP1A2
SCHEMBL27395571 0.79 NPC1 (0.56) ABL1NPC1ALDH1A1LMNACYP1A2
Nocodazole SCHEMBL9477 0.78 ABL1 (0.84) ABL1NPC1ALDH1A1LMNACYP1A2
Nocodazole SCHEMBL8009081 0.78 ABL1 (0.84) ABL1NPC1ALDH1A1LMNACYP1A2

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-2133318-A1 Building board Nichiha Corporation (JP) 2009-12-16 EP disclosed