SCHEMBL2937860

SCHEMBL2937860

O=S(=O)(Cc1cccc(Br)c1)N1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.63
TSHR P16473 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 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
SCHEMBL2933315 0.86 L3MBTL1 (0.56) HPGDTSHRNPC1KMT2A
SCHEMBL23714486 0.81 HPGD (0.63) HPGDTSHRALDH1A1KMT2A
SCHEMBL10210773 0.81 HPGD (0.63) HPGDTSHRALDH1A1KMT2A
SCHEMBL2933466 0.80 HPGD (0.66) HPGDTSHRSMN1; SMN2NPC1ALDH1A1
SCHEMBL4431567 0.79 HPGD (0.66) HPGDTSHRALDH1A1
SCHEMBL6738518 0.79 TSHR (0.96) HPGDTSHRNPC1ALDH1A1KMT2A
SCHEMBL3936704 0.78 TSHR (1.00) HPGDTSHRNPC1ALDH1A1KMT2A
SCHEMBL9612077 0.78 TSHR (1.00) HPGDTSHRNPC1ALDH1A1KMT2A
SCHEMBL10169498 0.77 HPGD (0.58) HPGDTSHRALDH1A1KMT2A
SCHEMBL14050542 0.77 HPGD (0.62) HPGDTSHRALDH1A1

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-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed