SCHEMBL11258670

SCHEMBL11258670

N#CNc1nc2ccc(C(=O)c3cccs3)cc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.69
ALDH1A1 P00352 3/20 0.69
NPC1 O15118 2/20 0.69
TUBB4A P04350 2/20 0.69
TUBB P07437 2/20 0.69
TUBA3C P0DPH7 2/20 0.69
TUBA1B P68363 2/20 0.69
TUBA4A P68366 2/20 0.69
TUBB4B P68371 2/20 0.69
TUBB3 Q13509 2/20 0.69
TUBB2A Q13885 2/20 0.69
TUBB8 Q3ZCM7 2/20 0.69
TUBA3E Q6PEY2 2/20 0.69
TUBA1A Q71U36 2/20 0.69
TUBA1C Q9BQE3 2/20 0.69
TUBB6 Q9BUF5 2/20 0.69
TUBB2B Q9BVA1 2/20 0.69
TUBB1 Q9H4B7 2/20 0.69
LMNA P02545 2/20 0.69
CYP1A2 P05177 2/20 0.69

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
SCHEMBL11258664 0.92 NPC1 (0.58) ABL1ALDH1A1NPC1TUBB4ATUBB
SCHEMBL4557188 0.85 ABL1 (0.78) ABL1ALDH1A1NPC1TUBB4ATUBB
Nocodazole SCHEMBL29573963 0.82 ABL1 (1.00) ABL1ALDH1A1NPC1TUBB4ATUBB
Nocodazole SCHEMBL2324427 0.82 ABL1 (1.00) ABL1ALDH1A1NPC1TUBB4ATUBB
SCHEMBL11294519 0.79 ABL1 (0.65) ABL1ALDH1A1NPC1TUBB4ATUBB
SCHEMBL24209744 0.78 ABL1 (0.81) ABL1ALDH1A1NPC1TUBB4ATUBB
SCHEMBL4204424 0.78 NPC1 (0.64) ABL1ALDH1A1NPC1TUBB4ATUBB
SCHEMBL11258667 0.75 NPC1 (0.44) ABL1ALDH1A1NPC1TUBB4ATUBB
Nocodazole SCHEMBL8009081 0.75 ABL1 (0.84) ABL1ALDH1A1NPC1TUBB4ATUBB
Nocodazole SCHEMBL29360101 0.75 ABL1 (0.84) ABL1ALDH1A1NPC1TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4321393-A Method for preparing 2-cyanamidobenzimidazoles or 2-cyanamidobenzoxazoles SMITHKLINE CORPORATION (US) 1982-03-23 US disclosed
US-4285878-A N-Phenyl-N'-cyano-O-phenylisoureas SMITHKLINE CORPORATION (US) 1981-08-25 US disclosed