SCHEMBL8745190

SCHEMBL8745190

C=CC(OC(=O)c1ccccc1C(=O)OC(C=C)Sc1ccccc1N)Sc1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.43
▸ HSD17B10 Q99714 8/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CFTR P13569 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ MAPT P10636 7/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ APOBEC3G Q9HC16 2/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 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
SCHEMBL11365205 0.70 POLB (0.38) ALDH1A1HSD17B10TSHRMAPTKMT2A
SCHEMBL6257193 0.69 CYP3A4 (0.48) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL9357896 0.69 KMT2A (0.46) ALDH1A1HSD17B10TSHRCYP3A4MAPT
SCHEMBL29199338 0.68 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRCFTRCYP3A4
SCHEMBL10521766 0.67 MAPT (0.45) ALDH1A1HSD17B10TSHRCFTRMAPT
SCHEMBL9753187 0.67 MAPT (0.45) ALDH1A1TSHRCYP3A4MAPTKMT2A
SCHEMBL29199339 0.67 POLB (0.39) ALDH1A1HSD17B10TSHRCFTRMAPT
SCHEMBL28578706 0.66 TSHR (0.45) ALDH1A1HSD17B10TSHRMAPTKMT2A
SCHEMBL6931448 0.64 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRCFTRCYP3A4
SCHEMBL1501166 0.64 HSD17B10 (0.58) ALDH1A1HSD17B10TSHRCFTRCYP3A4

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-0538850-B1 New polyurea resins and their preparation and use IHARA CHEMICAL IND CO (JP) 1997-01-22 — — EP claimed
US-5319058-A Improved heat resistance when polyisocyanate component is a combination of an aliphatic diisocyanate and a cyclic trimer of an aliphatic polyisocyanate IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1994-06-07 — — US claimed
EP-0538850-A2 New polyurea resins and their preparation and use IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1993-04-28 — — EP claimed
EP-0538850-B1 New polyurea resins and their preparation and use IHARA CHEMICAL IND CO (JP) 1997-01-22 — — EP disclosed
US-5319058-A Improved heat resistance when polyisocyanate component is a combination of an aliphatic diisocyanate and a cyclic trimer of an aliphatic polyisocyanate IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1994-06-07 — — US disclosed
EP-0538850-A2 New polyurea resins and their preparation and use IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1993-04-28 — — EP disclosed
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