SCHEMBL11097207

SCHEMBL11097207

CCOC(=O)Nc1nc2cc(SCC)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
CYP1A2 P05177 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPK1 P28482 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
KCNH2 Q12809 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HIF1A Q16665 3/20 0.46
CYP2C19 P33261 1/20 0.46
TUBB4A P04350 6/20 0.46
TUBB P07437 6/20 0.46
TUBA3C P0DPH7 6/20 0.46
TUBA1B P68363 6/20 0.46
TUBA4A P68366 6/20 0.46
TUBB4B P68371 6/20 0.46
TUBB3 Q13509 6/20 0.46
TUBB2A Q13885 6/20 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
SCHEMBL7258031 0.91 LMNA (0.69) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL11809362 0.89 LMNA (0.51) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL11667061 0.86 LMNA (0.48) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL14097446 0.84 TUBB4A (0.50) LMNACYP1A2SMN1; SMN2MEN1KMT2A
Albendazole SCHEMBL28325579 0.82 LMNA (0.72) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL11096138 0.81 TUBB4A (0.48) LMNACYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL7258034 0.81 LMNA (0.83) LMNACYP1A2SMN1; SMN2MEN1KMT2A
Albendazole SCHEMBL29409236 0.81 LMNA (0.83) LMNACYP1A2SMN1; SMN2MEN1KMT2A
Albendazole SCHEMBL44682 0.81 LMNA (0.83) LMNACYP1A2SMN1; SMN2MEN1KMT2A
Albendazole SCHEMBL7969988 0.81 LMNA (0.83) LMNACYP1A2SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487936-A Preparation of alkylthiobenzimidazoles CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1984-12-11 US disclosed
EP-0031473-B1 PROCESS FOR PREPARING 2-((ALKOXYCARBONYL)-AMINO)-5-(ALKYLTHIO)-1H-BENZIMIDAZOLES CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1984-05-30 EP disclosed
US-4368328-A ANTHELMINTICS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1983-01-11 US disclosed