SCHEMBL9114737

SCHEMBL9114737

COc1c(SC)ccc(C(=O)c2cnoc2C2CC2)c1SC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.35
TUBB P07437 5/20 0.35
TUBA3C P0DPH7 5/20 0.35
TUBA1B P68363 5/20 0.35
TUBA4A P68366 5/20 0.35
TUBB4B P68371 5/20 0.35
TUBB3 Q13509 5/20 0.35
TUBB2A Q13885 5/20 0.35
TUBB8 Q3ZCM7 5/20 0.35
TUBA3E Q6PEY2 5/20 0.35
TUBA1A Q71U36 5/20 0.35
TUBA1C Q9BQE3 5/20 0.35
TUBB6 Q9BUF5 5/20 0.35
TUBB2B Q9BVA1 5/20 0.35
TUBB1 Q9H4B7 5/20 0.35
DHODH Q02127 3/20 0.34
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9070501 0.90 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8491166 0.89 TUBB4A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8495847 0.88 PDE4B (0.35) DHODHHPGDALDH1A1PDE2A
SCHEMBL8489007 0.88 STAT1 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8489274 0.86 DHODH (0.35) DHODHHPGDALDH1A1CASP3RAB9A
SCHEMBL8729861 0.84 PDE4B (0.34) DHODHHPGDALDH1A1PDE2A
SCHEMBL9116727 0.83 DHODH (0.33) DHODHALDH1A1RAB9ASMN1; SMN2
SCHEMBL8492343 0.82 PDE4B (0.39) DHODHHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL9069970 0.81 DHODH (0.36) DHODHHPGDALDH1A1CASP3RAB9A
SCHEMBL9114653 0.81 MEN1 (0.34) DHODHHPGDALDH1A1RAB9ASMN1; SMN2

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
WO-1995022903-A1 NEW PESTICIDAL METHOD RHONE-POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed