Sugi Predict

Sugi Predict / Compounds / SCHEMBL4197141

SCHEMBL4197141

SCHEMBL4197141

Cc1cccc(N2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc(Cl)cc4)s3)CC2)n1.O=C(NCc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccccc3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(O)(c3ccccc3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(CCCN3CCCCC3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ DRD3 P35462 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ MAPT P10636 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ BCL2 P10415 1/20 0.34
▸ BCL2L1 Q07817 1/20 0.34
▸ JAK1 P23458 4/20 0.33
▸ JAK2 O60674 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
SCHEMBL7434456 0.83 KMT2A (0.48) KMT2AMEN1MAPK9MAPK10MAPT
SCHEMBL4972021 0.81 ALDH1A1 (0.47) KMT2AMEN1MAPK9MAPK10DRD3
SCHEMBL4964842 0.78 MEN1 (0.59) KMT2AMEN1MAPK9MAPK10MAPT
SCHEMBL3479799 0.74 KMT2A (0.53) KMT2AMEN1MAPK9MAPK10MAPT
SCHEMBL3480233 0.74 MAPK9 (0.55) KMT2AMEN1MAPK9MAPK10DRD3
SCHEMBL2428465 0.71 MAPK9 (0.58) KMT2AMEN1MAPK9MAPK10MAPT
SCHEMBL2423811 0.71 MEN1 (0.68) KMT2AMEN1MAPK9MAPK10MAPT
SCHEMBL2421336 0.70 MAPK9 (0.55) KMT2AMEN1MAPK9MAPK10DRD3
SCHEMBL3479879 0.70 MAPK9 (0.55) KMT2AMEN1MAPK9MAPK10DRD3
SCHEMBL2426036 0.68 MAPK9 (0.64) KMT2AMEN1MAPK9MAPK10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 — — EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 — — WO disclosed