SCHEMBL7849671

SCHEMBL7849671

CCOC(=O)CN(C)C(=O)c1ccccc1C(=O)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALOX15 P16050 2/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 3/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.41
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
SLC6A9 P48067 4/20 0.41
PSMD14 O00487 1/20 0.40
MMP2 P08253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGDS O60760 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL8785261 0.78 LMNA (0.46) TSHRLMNAHPGDMEN1KMT2A
SCHEMBL9401553 0.77 LMNA (0.43) ALDH1A1TSHRLMNAHPGD
SCHEMBL28652307 0.75 ALOX15 (0.58) ALDH1A1TSHRALOX15LMNARAB9A
SCHEMBL7850510 0.75 KMT2A (0.39) ALDH1A1TSHRSMN1; SMN2LMNARAB9A
SCHEMBL9148337 0.73 LMNA (0.85) ALDH1A1TSHRSMN1; SMN2ALOX15LMNA
SCHEMBL7854655 0.73 HPGD (0.43) ALDH1A1LMNARAB9AHPGDNPC1
SCHEMBL7374457 0.73 TACR1 (0.51) ALDH1A1TSHRSMN1; SMN2RAB9ANPC1
SCHEMBL9182128 0.72 KMT2A (0.45) ALDH1A1TSHRSMN1; SMN2RAB9ANPC1
SCHEMBL3857509 0.72 ALOX15 (0.62) ALDH1A1TSHRALOX15LMNARAB9A
SCHEMBL7374463 0.71 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617038-B1 Preparation of carbonic anhydrase inhibitors ALCON LAB INC (US) 2001-09-05 EP claimed
EP-0617038-A1 Preparation of carbonic anhydrase inhibitors ALCON LABORATORIES, INC. (US) 1994-09-28 EP claimed
EP-0617038-B1 Preparation of carbonic anhydrase inhibitors ALCON LAB INC (US) 2001-09-05 EP disclosed
EP-0652218-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-11 EP disclosed
US-5585385-A USEFUL IN TREATING DISORDERS OF MICTURITION; ADMINISTERING TO INHIBIT PLASMA EXTRAVASATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-17 US disclosed
EP-0652218-A1 Heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-05-10 EP disclosed