SCHEMBL11040554

SCHEMBL11040554

O=C1Cn2c(nc3ccsc3c2=O)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 12/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
PDE4B Q07343 6/20 0.37

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
SCHEMBL11039160 0.71 POLB (0.46) PDE7APOLBALDH1A1SMN1; SMN2PDE4B
SCHEMBL11038060 0.71 SMN1; SMN2 (0.51) PDE7ASMN1; SMN2PDE4BKMT2APKM
SCHEMBL1699146 0.68 TSHR (0.47) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11167231 0.68 PDE7A (0.40) PDE7APOLBALDH1A1SMN1; SMN2PDE4B
SCHEMBL29354937 0.67 KMT2A (0.56) PDE7APOLBALDH1A1SMN1; SMN2PDE4B
SCHEMBL19807935 0.64 ALPI (0.40) ALDH1A1SMN1; SMN2GAARAB9APDE3B
SCHEMBL7097205 0.63 PDE7A (0.39) PDE7APOLBALDH1A1SMN1; SMN2PDE4B
SCHEMBL7097206 0.63 PDE7A (0.39) PDE7APOLBALDH1A1SMN1; SMN2PDE4B
SCHEMBL7097210 0.63 PDE7A (0.39) PDE7APOLBALDH1A1SMN1; SMN2PDE4B
SCHEMBL7097211 0.63 PDE7A (0.39) PDE7APOLBALDH1A1SMN1; SMN2PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0043054-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-10-03 EP claimed
US-4376121-A Antiallerigically-active imidazothienopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US claimed
EP-0043054-A2 Pyrimidine derivatives, their preparation and medicaments containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-01-06 EP claimed
US-4376121-A Antiallerigically-active imidazothienopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US disclosed