SCHEMBL22422552

SCHEMBL22422552

Cc1cc(C(=O)N2CCN(C(=O)c3ccncc3F)CC2)ccc1NS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MYC P01106 2/20 0.41
▸ ABL1 P00519 2/20 0.40
▸ BCR P11274 2/20 0.40
▸ ATR Q13535 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ LRRK2 Q5S007 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CCNK O75909 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL18753852 0.87 POLB (0.45) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL22422396 0.82 PKM (0.60) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL20192563 0.78 PKLR (0.43) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2701180 0.77 PKLR (0.64) PKM
SCHEMBL18753335 0.76 LMNA (0.47) POLBLRRK2TSHRCPS1
SCHEMBL18753827 0.74 LRRK2 (0.43) MEN1KMT2AALDH1A1MYCHPGD
SCHEMBL19562201 0.74 TSHR (0.50) POLBALDH1A1L3MBTL1ABL1BCR
SCHEMBL20750502 0.73 POLB (0.50) POLBALDH1A1L3MBTL1ABL1BCR
SCHEMBL18753748 0.72 RBP4 (0.47) POLBMYCABL1BCRHPGD
SCHEMBL8257601 0.71 HPGD (0.54) POLBMEN1KMT2AALDH1A1L3MBTL1

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-3708169-A1 2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY Agios Pharmaceuticals, Inc. (US) 2020-09-16 — — EP disclosed
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