SCHEMBL9808915

SCHEMBL9808915

COc1ccc(-c2ccc([S+]([O-])c3ccc(-c4ccc(OC)c([N+](=O)[O-])c4)cc3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
TUBB4A P04350 3/20 0.46
TUBB P07437 3/20 0.46
TUBA3C P0DPH7 3/20 0.46
TUBA1B P68363 3/20 0.46
TUBA4A P68366 3/20 0.46
TUBB4B P68371 3/20 0.46
TUBB3 Q13509 3/20 0.46
TUBB2A Q13885 3/20 0.46
TUBB8 Q3ZCM7 3/20 0.46
TUBA3E Q6PEY2 3/20 0.46
TUBA1A Q71U36 3/20 0.46
TUBA1C Q9BQE3 3/20 0.46
TUBB6 Q9BUF5 3/20 0.46
TUBB2B Q9BVA1 3/20 0.46
TUBB1 Q9H4B7 3/20 0.46
SMN1; SMN2 Q16637 2/20 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
SCHEMBL10507601 0.84 MAPT (0.49) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1
SCHEMBL9808919 0.84 ALDH1A1 (0.54) PDGFRBPDGFRAALDH1A1TDP1TUBB4A
SCHEMBL28546991 0.83 PDGFRB (0.57) PDGFRBPDGFRAALDH1A1TDP1TUBB4A
SCHEMBL12312144 0.83 PDGFRB (0.57) PDGFRBPDGFRAALDH1A1TDP1TUBB4A
SCHEMBL7562427 0.83 ALDH1A1 (0.61) PDGFRBPDGFRAALDH1A1TDP1SMN1; SMN2
SCHEMBL12312167 0.80 KMT2A (0.58) PDGFRBPDGFRAALDH1A1TDP1TUBB4A
SCHEMBL18830795 0.78 ALDH1A1 (0.50) PDGFRBPDGFRAALDH1A1TDP1TUBB4A
SCHEMBL27703189 0.78 ALDH1A1 (0.50) PDGFRBPDGFRAALDH1A1TDP1TUBB4A
SCHEMBL9808911 0.77 ALDH1A1 (0.50) PDGFRBPDGFRAALDH1A1TDP1TUBB4A
SCHEMBL4623856 0.77 ALDH1A1 (0.57) PDGFRBPDGFRAALDH1A1TDP1TUBB4A

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-4985463-A Aminodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1991-01-15 US disclosed
US-4831194-A Process for the preparation of nitrodiaryl sulfoxides RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1989-05-16 US disclosed
US-4710323-A Nitrodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them as active ingredient RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-12-01 US disclosed