SCHEMBL6706628

SCHEMBL6706628

NC1c2ccsc2N=CN1c1ccc(NC(=O)C2CC2c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 4/20 0.50
▸ DEGS1 O15121 1/20 0.49
▸ NAMPT P43490 5/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HDAC3 O15379 2/20 0.40
▸ NCOR2 Q9Y618 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL4833761 1.00 SCN3A (0.50) SCN3ADEGS1NAMPTSMN1; SMN2ALDH1A1
SCHEMBL4831088 1.00 SCN3A (0.50) SCN3ADEGS1NAMPTSMN1; SMN2ALDH1A1
SCHEMBL4835303 0.81 RAB9A (0.43) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL4831067 0.75 DDX3X (0.44) SMN1; SMN2ALDH1A1GAAHTTNPC1
SCHEMBL4825817 0.73 PKM (0.45) SMN1; SMN2MEN1KMT2A
SCHEMBL4825661 0.71 MAPT (0.48) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL4831085 0.70 SCN3A (0.51) SCN3ADEGS1NAMPTSMN1; SMN2ALDH1A1
SCHEMBL4833753 0.70 SCN3A (0.51) SCN3ADEGS1NAMPTSMN1; SMN2ALDH1A1
SCHEMBL4826357 0.70 CFTR (0.38) LMNAHDAC1
SCHEMBL15706299 0.70 DEGS1 (0.82) SCN3ADEGS1NAMPTSMN1; SMN2ALDH1A1

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-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — WO disclosed
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