SCHEMBL8860681

SCHEMBL8860681

[CH2]c1ccc(C#N)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ AR P10275 6/20 0.38
▸ EGLN2 Q96KS0 1/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ TRPV4 Q9HBA0 2/20 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
SCHEMBL16952397 0.82 TSHR (0.48) TSHRABCG2ARCYP11B2ALDH1A1
SCHEMBL2639309 0.78 MAOB (0.42) ALDH1A1KDM4EUSP2TRPV4
SCHEMBL13001686 0.76 TSHR (0.52) TSHRABCG2AREGLN2CYP11B1
SCHEMBL277588 0.76 TSHR (0.52) TSHRAREGLN2ALDH1A1
SCHEMBL30361887 0.76 TSHR (0.52) TSHRAREGLN2ALDH1A1
SCHEMBL12317792 0.74 TSHR (0.50) TSHRABCG2AREGLN2CYP11B1
SCHEMBL393190 0.74 TSHR (0.50) TSHRAREGLN2CYP11B1CYP11B2
SCHEMBL16955741 0.74 TSHR (0.45) TSHRABCG2AREGLN2CYP11B1
SCHEMBL10502783 0.73 TRPV4 (0.57) TSHRABCG2AREGLN2CYP11B1
SCHEMBL21698055 0.73 TSHR (0.48) TSHRABCG2AREGLN2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
US-5658926-A ANTICOAGULANTS, ANTIHISTAMINES, ANTIARRHYTHMIC, CARTIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 — — US disclosed
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 — — EP disclosed
US-5506239-A Carbostyril derivative and platelets aggregation inhibitory agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 — — US disclosed
EP-0569592-A1 CARBOSTYRIL DERIVATIVE AND PLATELET AGGLUTINATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-11-18 — — EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 — — US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 — — EP disclosed
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