SCHEMBL4666978

SCHEMBL4666978

NC(=O)CC(=C1SC(Nc2cc[c]cc2)=NC1=O)c1c[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
GPR84 Q9NQS5 1/20 0.37
NR4A2 P43354 1/20 0.36
CREBBP Q92793 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CFTR P13569 2/20 0.36
PBRM1 Q86U86 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
MAPT P10636 1/20 0.35
ADAM17 P78536 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL4132050 0.86 PTGDR2 (0.40) ALDH1A1ATMMEN1KMT2ANPC1
SCHEMBL4137011 0.82 SIRT2 (0.40) ALDH1A1ATMMEN1KMT2ANPC1
SCHEMBL4140717 0.78 PTGDR2 (0.42) GPR84MEN1KMT2ANPC1RAB9A
SCHEMBL4294902 0.77 ADAM17 (0.43) NPC1RAB9ACFTRCTNNB1WNT3A
SCHEMBL4122099 0.74 PTGDR2 (0.39) NR4A2CREBBPCFTRADAM17GABRP
SCHEMBL3767352 0.67 CFTR (0.63) ALDH1A1ATMGPR84NR4A2CREBBP
SCHEMBL3122183 0.67 ALDH1A1 (0.67) ALDH1A1ATMGPR84NR4A2CREBBP
SCHEMBL4122132 0.66 IGF1R (0.41) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL117198 0.62 ALDH1A1 (1.00) ALDH1A1ATMGPR84NR4A2CREBBP
SCHEMBL29544426 0.62 ALDH1A1 (1.00) ALDH1A1ATMGPR84NR4A2CREBBP

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-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP disclosed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO disclosed