SCHEMBL2869095

SCHEMBL2869095

CCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(-c2[nH]c3ccccc3c2C(=O)C(=O)O)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41

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
SCHEMBL2873358 0.92 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2875356 0.88 KMT2A (0.50) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2878353 0.85 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2873172 0.84 ESR1 (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2872281 0.80 ESR1 (0.44) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2878341 0.79 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TUBB4ATUBB
SCHEMBL2869092 0.79 ALDH1A1 (0.54) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2873468 0.77 ESR1 (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2876517 0.75 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2878396 0.74 ALDH1A1 (0.38) MEN1KMT2AALDH1A1

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
EP-2066628-B1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2010-10-20 EP disclosed